methyl 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-indolin-1-ylsulfonylbenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-indolin-1-ylsulfonylbenzoyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C27H21N3O5S2 MolecularWeight: 531.60274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54)S2)CC#C

InChI

InChI=1S/C27H21N3O5S2/c1-3-15-29-23-13-10-20(26(32)35-2)17-24(23)36-27(29)28-25(31)19-8-11-21(12-9-19)37(33,34)30-16-14-18-6-4-5-7-22(18)30/h1,4-13,17H,14-16H2,2H3