(2S)-2-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[2-(3-chloro-4-fluoro-phenyl)sulfanylacetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[(3-chloro-4-fluorophenyl)thio]-1-oxoethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[(3-chloro-4-fluoro-phenyl)thio]acetyl]amino]-4-methyl-valerate Formula: C14H16ClFNO3S- MolecularWeight: 332.798143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)CSC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)CSC1=CC(=C(C=C1)F)Cl

InChI

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