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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(3-chloro-4-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=CC(=C(C=C3)F)Cl)NC1=O

Isomeric SMILES

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

InChI

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