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

Systemtic Name: 3-[(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-methoxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-(4-methoxyphenyl)-4-oxo-butanoic acid CAS Name: 3-[[(1-methoxy-1-oxopropan-2-yl)thio]methyl]-4-(4-methoxyphenyl)-4-oxobutanoic acid IUPAC Name: 3-[(1-methoxy-1-oxopropan-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-4-oxobutanoic acid Traditional Name: 4-keto-3-[[(2-keto-2-methoxy-1-methyl-ethyl)thio]methyl]-4-(4-methoxyphenyl)butyric acid Formula: C16H20O6S MolecularWeight: 340.3914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O6S/c1-10(16(20)22-3)23-9-12(8-14(17)18)15(19)11-4-6-13(21-2)7-5-11/h4-7,10,12H,8-9H2,1-3H3,(H,17,18)