N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C17H14BrFN2O2S MolecularWeight: 409.272663

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)F)NC1=O

InChI

InChI=1S/C17H14BrFN2O2S/c18-12-2-3-13(19)11(7-12)9-20-17(23)10-1-4-15-14(8-10)21-16(22)5-6-24-15/h1-4,7-8H,5-6,9H2,(H,20,23)(H,21,22)