6-[(2S)-2-(4-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(2S)-2-(4-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(2S)-2-(4-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(2S)-2-(4-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(2S)-2-(4-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(2S)-2-(4-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2NC1=C3C=CC=CC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](SC2=CC=CC=C2NC1=C3C=CC=CC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O3S/c24-19-7-3-1-5-16(19)18-13-21(14-9-11-15(12-10-14)23(25)26)27-20-8-4-2-6-17(20)22-18/h1-12,21-22H,13H2/t21-/m0/s1