1,1-Dimethylethyl 6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-bromo-2-pyridinecarboxylate

CAS Registry Number®

1235036-16-4
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CAS Name

1,1-Dimethylethyl 6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-bromo-2-pyridinecarboxylate

Molecular Formula

C27H25BrN4O3S

Molecular Mass

565.48

Cite this Page

1,1-Dimethylethyl 6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-bromo-2-pyridinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1235036-16-4 (retrieved 2024-06-26) (CAS RN: 1235036-16-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H25BrN4O3S/c1-27(2,3)35-25(34)23-19(28)11-12-22(30-23)32-14-13-16-7-6-8-17(18(16)15-32)24(33)31-26-29-20-9-4-5-10-21(20)36-26/h4-12H,13-15H2,1-3H3,(H,29,31,33)

InChIKey

InChIKey=MHSIKILHKGQXMY-UHFFFAOYSA-N

SMILES

C(NC1=NC=2C(S1)=CC=CC2)(=O)C3=C4C(CCN(C4)C=5N=C(C(OC(C)(C)C)=O)C(Br)=CC5)=CC=C3

Canonical SMILES

O=C(OC(C)(C)C)C1=NC(=CC=C1Br)N2CC=3C(=CC=CC3CC2)C(=O)NC4=NC=5C=CC=CC5S4

Other Names for this Substance

  • 2-Pyridinecarboxylic acid, 6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-bromo-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-bromo-2-pyridinecarboxylate

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