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

Systemtic Name: methyl 2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-[(4-chlorophenyl)thio]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CSC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)CSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H18ClNO3S/c1-9(2)13(14(18)19-3)16-12(17)8-20-11-6-4-10(15)5-7-11/h4-7,9,13H,8H2,1-3H3,(H,16,17)