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

Systemtic Name: (2R,3S)-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Openeye Name: (2R,3S)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile CAS Name: (2R,3S)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile IUPAC Name: (2R,3S)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Traditional Name: (2R,3S)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Formula: C16H12N2OS MolecularWeight: 280.34428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)C#N

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C16H12N2OS/c17-10-12-15(11-6-2-1-3-7-11)20-14-9-5-4-8-13(14)18-16(12)19/h1-9,12,15H,(H,18,19)/t12-,15+/m1/s1