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

Systemtic Name: (2R,3S)-2-(4-chlorophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Openeye Name: (2R,3S)-2-(4-chlorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile CAS Name: (2R,3S)-2-(4-chlorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile IUPAC Name: (2R,3S)-2-(4-chlorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Traditional Name: (2R,3S)-2-(4-chlorophenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Formula: C16H11ClN2OS MolecularWeight: 314.78934

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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@@H]([C@@H](S2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C16H11ClN2OS/c17-11-7-5-10(6-8-11)15-12(9-18)16(20)19-13-3-1-2-4-14(13)21-15/h1-8,12,15H,(H,19,20)/t12-,15+/m1/s1