methyl (2S)-2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C14H17ClFNO3S MolecularWeight: 333.806083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CC1=C(C=CC=C1Cl)F

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C14H17ClFNO3S/c1-20-14(19)12(6-7-21-2)17-13(18)8-9-10(15)4-3-5-11(9)16/h3-5,12H,6-8H2,1-2H3,(H,17,18)/t12-/m0/s1