[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C21H21F2NO5S MolecularWeight: 437.456946

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC(=C(C=C1)F)F)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)C1=CC(=C(C=C1)F)F)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H21F2NO5S/c1-30-10-9-18(24-20(26)13-28-15-5-3-2-4-6-15)21(27)29-12-19(25)14-7-8-16(22)17(23)11-14/h2-8,11,18H,9-10,12-13H2,1H3,(H,24,26)