(2-chloranyl-6-fluoranyl-phenyl)methyl 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H21ClFNO4S MolecularWeight: 425.901443

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=C(C=CC=C1Cl)F)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC1=C(C=CC=C1Cl)F)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H21ClFNO4S/c1-28-11-10-18(23-19(24)13-26-14-6-3-2-4-7-14)20(25)27-12-15-16(21)8-5-9-17(15)22/h2-9,18H,10-13H2,1H3,(H,23,24)