2-(4-chlorophenyl)-5-methyl-1,5-benzothiazepine-3,4-dione

Systemtic Name: 2-(4-chlorophenyl)-5-methyl-1,5-benzothiazepine-3,4-dione Openeye Name: 2-(4-chlorophenyl)-5-methyl-1,5-benzothiazepine-3,4-dione CAS Name: 2-(4-chlorophenyl)-5-methyl-1,5-benzothiazepine-3,4-dione IUPAC Name: 2-(4-chlorophenyl)-5-methyl-1,5-benzothiazepine-3,4-dione Traditional Name: 2-(4-chlorophenyl)-5-methyl-1,5-benzothiazepine-3,4-quinone Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC(C(=O)C1=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=CC=CC=C2SC(C(=O)C1=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClNO2S/c1-18-12-4-2-3-5-13(12)21-15(14(19)16(18)20)10-6-8-11(17)9-7-10/h2-9,15H,1H3