(2-chloranyl-6-fluoranyl-phenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (2-chloro-6-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 (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-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 (2-chloro-6-fluoro-benzyl) ester Formula: C17H13ClFNO3S MolecularWeight: 365.806423

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC3=C(C=CC=C3Cl)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC3=C(C=CC=C3Cl)F)NC1=O

InChI

InChI=1S/C17H13ClFNO3S/c18-12-2-1-3-13(19)11(12)9-23-17(22)10-4-5-15-14(8-10)20-16(21)6-7-24-15/h1-5,8H,6-7,9H2,(H,20,21)