(2S)-2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: (2S)-2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine Openeye Name: (2S)-2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine CAS Name: (2S)-2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine IUPAC Name: (2S)-2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine Traditional Name: (2S)-2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O2S/c24-23(25)17-10-6-9-16(13-17)21-14-19(15-7-2-1-3-8-15)22-18-11-4-5-12-20(18)26-21/h1-13,21H,14H2/t21-/m0/s1