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

Systemtic Name: 4,10a-diphenyl-1-(phenylmethyl)-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione Openeye Name: 1-benzyl-4,10a-diphenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione CAS Name: 4,10a-diphenyl-1-(phenylmethyl)-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione IUPAC Name: 1-benzyl-4,10a-diphenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione Traditional Name: 1-benzyl-4,10a-diphenyl-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:

C1=CC=C(C=C1)CN2C(=O)C(=O)C3=C(NC4=CC=CC=C4SC32C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=O)C3=C(NC4=CC=CC=C4SC32C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H22N2O2S/c33-28-26-27(22-14-6-2-7-15-22)31-24-18-10-11-19-25(24)35-30(26,23-16-8-3-9-17-23)32(29(28)34)20-21-12-4-1-5-13-21/h1-19,31H,20H2