3,5-dihydro-2H-4,1-benzothiazepin-1-yl-(4-nitrophenyl)methanone

Systemtic Name: 3,5-dihydro-2H-4,1-benzothiazepin-1-yl-(4-nitrophenyl)methanone Openeye Name: 3,5-dihydro-2H-4,1-benzothiazepin-1-yl-(4-nitrophenyl)methanone CAS Name: 3,5-dihydro-2H-4,1-benzothiazepin-1-yl-(4-nitrophenyl)methanone IUPAC Name: 3,5-dihydro-2H-4,1-benzothiazepin-1-yl-(4-nitrophenyl)methanone Traditional Name: 3,5-dihydro-2H-4,1-benzothiazepin-1-yl-(4-nitrophenyl)methanone Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSCC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c19-16(12-5-7-14(8-6-12)18(20)21)17-9-10-22-11-13-3-1-2-4-15(13)17/h1-8H,9-11H2