(4-bromanyl-2-fluoranyl-phenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid (4-bromo-2-fluoro-benzyl) ester Formula: C17H13BrFNO3S MolecularWeight: 410.257423

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC3=C(C=C(C=C3)Br)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC3=C(C=C(C=C3)Br)F)NC1=O

InChI

InChI=1S/C17H13BrFNO3S/c18-12-3-1-11(13(19)8-12)9-23-17(22)10-2-4-15-14(7-10)20-16(21)5-6-24-15/h1-4,7-8H,5-6,9H2,(H,20,21)