[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] (2R)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] (2R)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] (2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)C1=CC=C(C=C1)F)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H22FNO5S/c1-29-12-11-18(23-20(25)14-27-17-5-3-2-4-6-17)21(26)28-13-19(24)15-7-9-16(22)10-8-15/h2-10,18H,11-14H2,1H3,(H,23,25)/t18-/m1/s1