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

Systemtic Name: (2R,3S)-7-chloranyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Openeye Name: (2R,3S)-7-chloro-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile CAS Name: (2R,3S)-7-chloro-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile IUPAC Name: (2R,3S)-7-chloro-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Traditional Name: (2R,3S)-7-chloro-4-keto-2-phenyl-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=C(C=C1)C2C(C(=O)NC3=C(S2)C=CC(=C3)Cl)C#N

Isomeric SMILES

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

InChI

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