2-[2-(4-methoxyphenyl)sulfanylethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(4-methoxyphenyl)sulfanylethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(4-methoxyphenyl)thio]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(4-methoxyphenyl)thio]acetyl]amino]-3-methyl-butyric acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-9(2)13(14(17)18)15-12(16)8-20-11-6-4-10(19-3)5-7-11/h4-7,9,13H,8H2,1-3H3,(H,15,16)(H,17,18)