Methyl 2-[[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]imino]-6-methoxy-3(2H)-benzothiazoleacetate

CAS Registry Number®

865200-00-6
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CAS Name

Methyl 2-[[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]imino]-6-methoxy-3(2H)-benzothiazoleacetate

Molecular Formula

C27H25N3O6S2

Molecular Mass

551.63

Cite this Page

Methyl 2-[[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]imino]-6-methoxy-3(2H)-benzothiazoleacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=865200-00-6 (retrieved 2024-08-14) (CAS RN: 865200-00-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H25N3O6S2/c1-35-21-9-12-23-24(15-21)37-27(30(23)17-25(31)36-2)28-26(32)19-7-10-22(11-8-19)38(33,34)29-14-13-18-5-3-4-6-20(18)16-29/h3-12,15H,13-14,16-17H2,1-2H3

InChIKey

InChIKey=JRVBSVVWLCMZAI-UHFFFAOYSA-N

SMILES

C(C(OC)=O)N1C=2C(SC1=NC(=O)C3=CC=C(S(=O)(=O)N4CC=5C(CC4)=CC=CC5)C=C3)=CC(OC)=CC2

Canonical SMILES

O=C(N=C1SC2=CC(OC)=CC=C2N1CC(=O)OC)C3=CC=C(C=C3)S(=O)(=O)N4CC=5C=CC=CC5CC4

Other Names for this Substance

  • 3(2H)-Benzothiazoleacetic acid, 2-[[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]imino]-6-methoxy-, methyl ester
  • Methyl 2-[[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]imino]-6-methoxy-3(2H)-benzothiazoleacetate