methyl (2R)-2-[2-(3-fluoranyl-4-methoxy-phenyl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[2-(3-fluoranyl-4-methoxy-phenyl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-(3-fluoro-4-methoxy-phenyl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-(3-fluoro-4-methoxyphenyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-(3-fluoro-4-methoxy-phenyl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H20FNO4S MolecularWeight: 329.387003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC(CCSC)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N[C@H](CCSC)C(=O)OC)F

InChI

InChI=1S/C15H20FNO4S/c1-20-13-5-4-10(8-11(13)16)9-14(18)17-12(6-7-22-3)15(19)21-2/h4-5,8,12H,6-7,9H2,1-3H3,(H,17,18)/t12-/m1/s1