4-(4-methylphenyl)-3H-1,4-benzothiazepine-2,5-dione

Systemtic Name: 4-(4-methylphenyl)-3H-1,4-benzothiazepine-2,5-dione Openeye Name: 4-(p-tolyl)-3H-1,4-benzothiazepine-2,5-dione CAS Name: 4-(4-methylphenyl)-3H-1,4-benzothiazepine-2,5-dione IUPAC Name: 4-(4-methylphenyl)-3H-1,4-benzothiazepine-2,5-dione Traditional Name: 4-(p-tolyl)-3H-1,4-benzothiazepine-2,5-quinone Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(=O)SC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(=O)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H13NO2S/c1-11-6-8-12(9-7-11)17-10-15(18)20-14-5-3-2-4-13(14)16(17)19/h2-9H,10H2,1H3