1-(4-methylphenyl)-4,10a-diphenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione

Systemtic Name: 1-(4-methylphenyl)-4,10a-diphenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione Openeye Name: 4,10a-diphenyl-1-(p-tolyl)-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione CAS Name: 1-(4-methylphenyl)-4,10a-diphenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione IUPAC Name: 1-(4-methylphenyl)-4,10a-diphenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione Traditional Name: 4,10a-diphenyl-1-(p-tolyl)-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-quinone Formula: C30H22N2O2S MolecularWeight: 474.57288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=O)C3=C(NC4=CC=CC=C4SC32C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=O)C3=C(NC4=CC=CC=C4SC32C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H22N2O2S/c1-20-16-18-23(19-17-20)32-29(34)28(33)26-27(21-10-4-2-5-11-21)31-24-14-8-9-15-25(24)35-30(26,32)22-12-6-3-7-13-22/h2-19,31H,1H3