(2R)-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoate

Systemtic Name: (2R)-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoate Openeye Name: (2R)-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2R)-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[2-[(4-chlorophenyl)thio]acetyl]amino]-3-methyl-butyrate Formula: C13H15ClNO3S- MolecularWeight: 300.7811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3S/c1-8(2)12(13(17)18)15-11(16)7-19-10-5-3-9(14)4-6-10/h3-6,8,12H,7H2,1-2H3,(H,15,16)(H,17,18)/p-1/t12-/m1/s1