8-chloranyl-2-(4-methoxyphenyl)-5H-1,5-benzothiazepine-3,4-dione

Systemtic Name: 8-chloranyl-2-(4-methoxyphenyl)-5H-1,5-benzothiazepine-3,4-dione Openeye Name: 8-chloro-2-(4-methoxyphenyl)-5H-1,5-benzothiazepine-3,4-dione CAS Name: 8-chloro-2-(4-methoxyphenyl)-5H-1,5-benzothiazepine-3,4-dione IUPAC Name: 8-chloro-2-(4-methoxyphenyl)-5H-1,5-benzothiazepine-3,4-dione Traditional Name: 8-chloro-2-(4-methoxyphenyl)-5H-1,5-benzothiazepine-3,4-quinone Formula: C16H12ClNO3S MolecularWeight: 333.78938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=O)C(=O)NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2C(=O)C(=O)NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C16H12ClNO3S/c1-21-11-5-2-9(3-6-11)15-14(19)16(20)18-12-7-4-10(17)8-13(12)22-15/h2-8,15H,1H3,(H,18,20)