2-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(4-chlorobenzyl)thio]acetyl]amino]-3-methyl-butyric acid Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CSCC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CSCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H18ClNO3S/c1-9(2)13(14(18)19)16-12(17)8-20-7-10-3-5-11(15)6-4-10/h3-6,9,13H,7-8H2,1-2H3,(H,16,17)(H,18,19)