N-(4-methyl-3-nitro-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(4-methyl-3-nitrophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(4-methyl-3-nitro-phenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C17H15N3O4S MolecularWeight: 357.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-10-2-4-12(9-14(10)20(23)24)18-17(22)11-3-5-15-13(8-11)19-16(21)6-7-25-15/h2-5,8-9H,6-7H2,1H3,(H,18,22)(H,19,21)