methyl 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxy-2-oxo-ethyl)-2-(4-indolin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-(4-indolin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C28H25N3O7S2 MolecularWeight: 579.644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C28H25N3O7S2/c1-3-38-25(32)17-30-23-13-10-20(27(34)37-2)16-24(23)39-28(30)29-26(33)19-8-11-21(12-9-19)40(35,36)31-15-14-18-6-4-5-7-22(18)31/h4-13,16H,3,14-15,17H2,1-2H3