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

Systemtic Name: (2R,3S)-2-(4-nitrophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Openeye Name: (2R,3S)-2-(4-nitrophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile CAS Name: (2R,3S)-2-(4-nitrophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile IUPAC Name: (2R,3S)-2-(4-nitrophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Traditional Name: (2R,3S)-4-keto-2-(4-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(C(S2)C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O3S/c17-9-12-15(10-5-7-11(8-6-10)19(21)22)23-14-4-2-1-3-13(14)18-16(12)20/h1-8,12,15H,(H,18,20)/t12-,15+/m1/s1