methyl (2R)-2-[2-(4-fluoranylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[2-(4-fluoranylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-(4-fluorophenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C14H18FNO4S MolecularWeight: 315.360423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@@H](CCSC)NC(=O)COC1=CC=C(C=C1)F

InChI

InChI=1S/C14H18FNO4S/c1-19-14(18)12(7-8-21-2)16-13(17)9-20-11-5-3-10(15)4-6-11/h3-6,12H,7-9H2,1-2H3,(H,16,17)/t12-/m1/s1