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

Systemtic Name: 3-[(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-methoxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 3-[[(1-methoxy-1-oxopropan-2-yl)thio]methyl]-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: 3-[(1-methoxy-1-oxopropan-2-yl)sulfanylmethyl]-4-(4-methylphenyl)-4-oxobutanoic acid Traditional Name: 4-keto-3-[[(2-keto-2-methoxy-1-methyl-ethyl)thio]methyl]-4-(p-tolyl)butyric acid Formula: C16H20O5S MolecularWeight: 324.392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O5S/c1-10-4-6-12(7-5-10)15(19)13(8-14(17)18)9-22-11(2)16(20)21-3/h4-7,11,13H,8-9H2,1-3H3,(H,17,18)