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

Systemtic Name: (2R,3S)-2-(3-bromophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Openeye Name: (2R,3S)-2-(3-bromophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile CAS Name: (2R,3S)-2-(3-bromophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile IUPAC Name: (2R,3S)-2-(3-bromophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Traditional Name: (2R,3S)-2-(3-bromophenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Formula: C16H11BrN2OS MolecularWeight: 359.24034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)[C@@H]([C@@H](S2)C3=CC(=CC=C3)Br)C#N

InChI

InChI=1S/C16H11BrN2OS/c17-11-5-3-4-10(8-11)15-12(9-18)16(20)19-13-6-1-2-7-14(13)21-15/h1-8,12,15H,(H,19,20)/t12-,15+/m1/s1