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

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(4-fluoro-3-nitrophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C16H12FN3O4S MolecularWeight: 361.347583

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C16H12FN3O4S/c17-11-3-2-10(8-13(11)20(23)24)18-16(22)9-1-4-14-12(7-9)19-15(21)5-6-25-14/h1-4,7-8H,5-6H2,(H,18,22)(H,19,21)