[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 3-(2-methylindolin-1-yl)sulfonylbenzoate CAS Name: 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Traditional Name: 3-(2-methylindolin-1-yl)sulfonylbenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C25H21N3O5S2 MolecularWeight: 507.58134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H21N3O5S2/c1-16-13-17-7-2-4-11-21(17)28(16)35(31,32)19-9-6-8-18(14-19)24(30)33-15-23(29)27-25-26-20-10-3-5-12-22(20)34-25/h2-12,14,16H,13,15H2,1H3,(H,26,27,29)