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

Systemtic Name: [2,3-bis(fluoranyl)phenyl]methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (2,3-difluorophenyl)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 (2,3-difluorophenyl)methyl ester IUPAC Name: (2,3-difluorophenyl)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 (2,3-difluorobenzyl) ester Formula: C17H13F2NO3S MolecularWeight: 349.351826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F2NO3S/c18-12-3-1-2-11(16(12)19)9-23-17(22)10-4-5-14-13(8-10)20-15(21)6-7-24-14/h1-5,8H,6-7,9H2,(H,20,21)