2-[1-methoxy-3-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[1-methoxy-3-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid Openeye Name: 2-[2-methoxy-2-oxo-1-(p-tolylmethyl)ethyl]sulfanylpropanoic acid CAS Name: 2-[[1-methoxy-3-(4-methylphenyl)-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 2-[1-methoxy-3-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-methoxy-1-(4-methylbenzyl)ethyl]thio]propionic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)OC)SC(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)OC)SC(C)C(=O)O

InChI

InChI=1S/C14H18O4S/c1-9-4-6-11(7-5-9)8-12(14(17)18-3)19-10(2)13(15)16/h4-7,10,12H,8H2,1-3H3,(H,15,16)