methyl 2-[6-acetamido-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(4-indolin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(4-indolin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C27H24N4O6S2 MolecularWeight: 564.63266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54)S2)CC(=O)OC

InChI

InChI=1S/C27H24N4O6S2/c1-17(32)28-20-9-12-23-24(15-20)38-27(30(23)16-25(33)37-2)29-26(34)19-7-10-21(11-8-19)39(35,36)31-14-13-18-5-3-4-6-22(18)31/h3-12,15H,13-14,16H2,1-2H3,(H,28,32)