2-(4-chlorophenyl)-4-oxidanylidene-5H-1,5-benzothiazepine-3-carbonitrile

Systemtic Name: 2-(4-chlorophenyl)-4-oxidanylidene-5H-1,5-benzothiazepine-3-carbonitrile Openeye Name: 2-(4-chlorophenyl)-4-oxo-5H-1,5-benzothiazepine-3-carbonitrile CAS Name: 2-(4-chlorophenyl)-4-oxo-5H-1,5-benzothiazepine-3-carbonitrile IUPAC Name: 2-(4-chlorophenyl)-4-oxo-5H-1,5-benzothiazepine-3-carbonitrile Traditional Name: 2-(4-chlorophenyl)-4-keto-5H-1,5-benzothiazepine-3-carbonitrile Formula: C16H9ClN2OS MolecularWeight: 312.77346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(=C(S2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(=C(S2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C16H9ClN2OS/c17-11-7-5-10(6-8-11)15-12(9-18)16(20)19-13-3-1-2-4-14(13)21-15/h1-8H,(H,19,20)