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

Systemtic Name: 3-[(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 3-[(2-methoxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-oxo-4-phenyl-butanoic acid CAS Name: 3-[[(1-methoxy-1-oxopropan-2-yl)thio]methyl]-4-oxo-4-phenylbutanoic acid IUPAC Name: 3-[(1-methoxy-1-oxopropan-2-yl)sulfanylmethyl]-4-oxo-4-phenylbutanoic acid Traditional Name: 4-keto-3-[[(2-keto-2-methoxy-1-methyl-ethyl)thio]methyl]-4-phenyl-butyric acid Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5S/c1-10(15(19)20-2)21-9-12(8-13(16)17)14(18)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17)