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

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C16H12ClFN2O2S MolecularWeight: 350.795083

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)NC1=O

InChI

InChI=1S/C16H12ClFN2O2S/c17-10-2-3-12(11(18)8-10)20-16(22)9-1-4-14-13(7-9)19-15(21)5-6-23-14/h1-4,7-8H,5-6H2,(H,19,21)(H,20,22)