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

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(trifluoromethyl)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-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]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-(trifluoromethyl)benzyl] ester Formula: C18H14F3NO3S MolecularWeight: 381.36887

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3C(F)(F)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3C(F)(F)F)NC1=O

InChI

InChI=1S/C18H14F3NO3S/c19-18(20,21)13-4-2-1-3-12(13)10-25-17(24)11-5-6-15-14(9-11)22-16(23)7-8-26-15/h1-6,9H,7-8,10H2,(H,22,23)