ethyl 3-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-indolin-1-ylsulfonylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-indolin-1-ylsulfonylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C27H26N4O7S3 MolecularWeight: 614.71294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C27H26N4O7S3/c1-2-38-25(32)14-15-30-23-12-11-21(40(28,34)35)17-24(23)39-27(30)29-26(33)19-7-9-20(10-8-19)41(36,37)31-16-13-18-5-3-4-6-22(18)31/h3-12,17H,2,13-16H2,1H3,(H2,28,34,35)