5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, monosodium salt, (6R,7R)-
CAS Registry Number®
67763-91-1
CAS Name
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, monosodium salt, (6R,7R)-Molecular Formula
C17H15Cl2N3O7S.NaCite this Page
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, monosodium salt, (6R,7R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=67763-91-1 (retrieved ) (CAS RN: 67763-91-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C17H15Cl2N3O7S.Na/c1-7(23)29-5-8-6-30-16-12(15(26)22(16)13(8)17(27)28)20-11(24)4-21-2-9(18)14(25)10(19)3-21;/h2-3,12,16H,4-6H2,1H3,(H,20,24)(H,27,28);/t12-,16-;/m1./s1
InChIKey
InChIKey=SZULXMHDXHHYKS-VQZRABBESA-N
SMILES
C(O)(=O)C=1N2[C@@]([C@H](NC(CN3C=C(Cl)C(=O)C(Cl)=C3)=O)C2=O)(SCC1COC(C)=O)[H].[Na]
Canonical SMILES
[Na].O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)CN3C=C(Cl)C(=O)C(Cl)=C3
Other Names for this Substance
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, monosodium salt, (6R,7R)-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, monosodium salt, (6R-trans)-
- EMD 29645