3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxy-3-nitro-phenyl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxy-3-nitro-phenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxy-3-nitro-phenyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxy-3-nitrophenyl)methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxy-3-nitrophenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxy-3-nitro-phenyl)methanone Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCSC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCSC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O4S/c1-23-15-8-7-12(11-14(15)19(21)22)17(20)18-9-4-10-24-16-6-3-2-5-13(16)18/h2-3,5-8,11H,4,9-10H2,1H3