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

Systemtic Name: 2-[1-methoxy-3-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid Openeye Name: 2-[2-methoxy-2-oxo-1-(p-tolylmethyl)ethyl]sulfanylacetic acid CAS Name: 2-[[1-methoxy-3-(4-methylphenyl)-1-oxopropan-2-yl]thio]acetic acid IUPAC Name: 2-[1-methoxy-3-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-methoxy-1-(4-methylbenzyl)ethyl]thio]acetic acid Formula: C13H16O4S MolecularWeight: 268.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-9-3-5-10(6-4-9)7-11(13(16)17-2)18-8-12(14)15/h3-6,11H,7-8H2,1-2H3,(H,14,15)