3-(2,3-dihydroindol-1-ylcarbonyl)-5-[(2,5-dimethylphenyl)methyl]-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-(2,3-dihydroindol-1-ylcarbonyl)-5-[(2,5-dimethylphenyl)methyl]-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-3-(indoline-1-carbonyl)-11,11-dioxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[2,3-dihydroindol-1-yl(oxo)methyl]-5-[(2,5-dimethylphenyl)methyl]-11,11-dioxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-(2,3-dihydroindole-1-carbonyl)-5-[(2,5-dimethylphenyl)methyl]-11,11-dioxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(2,5-dimethylbenzyl)-3-(indoline-1-carbonyl)-11,11-diketo-benzo[b][1,4]benzothiazepin-6-one Formula: C31H26N2O4S MolecularWeight: 522.61414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)N4CCC5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)N4CCC5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6C2=O

InChI

InChI=1S/C31H26N2O4S/c1-20-11-12-21(2)24(17-20)19-33-27-18-23(30(34)32-16-15-22-7-3-5-9-26(22)32)13-14-29(27)38(36,37)28-10-6-4-8-25(28)31(33)35/h3-14,17-18H,15-16,19H2,1-2H3