(2R,3S)-7-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile

Systemtic Name: (2R,3S)-7-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Openeye Name: (2R,3S)-7-chloro-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile CAS Name: (2R,3S)-7-chloro-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile IUPAC Name: (2R,3S)-7-chloro-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Traditional Name: (2R,3S)-7-chloro-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Formula: C17H13ClN2OS MolecularWeight: 328.81592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=CC(=C3)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC3=C(S2)C=CC(=C3)Cl)C#N

InChI

InChI=1S/C17H13ClN2OS/c1-10-2-4-11(5-3-10)16-13(9-19)17(21)20-14-8-12(18)6-7-15(14)22-16/h2-8,13,16H,1H3,(H,20,21)/t13-,16+/m1/s1