CAS Registry Number®
1246816-04-5
Molecular Formula
C17H15D6N3O6SCite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1246816-04-5 (retrieved ) (CAS RN: 1246816-04-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1/C17H21N3O6S/c1-11(21)27-14-8-15(16(22)18(2)3)19(9-14)17(23)26-10-12-4-6-13(7-5-12)20(24)25/h4-7,14-15H,8-10H2,1-3H3/t14-,15-/s2/i2D3,3D3
InChIKey
InChIKey=SUQHNDGLACBBOE-GSGGWHPCNA-N
SMILES
C(OCC1=CC=C(N(=O)=O)C=C1)(=O)N2[C@H](C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])=O)C[C@H](SC(C)=O)C2
Canonical SMILES
O=C(OCC1=CC=C(C=C1)N(=O)=O)N2CC(SC(=O)C)CC2C(=O)N(C)C
