methyl 3-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanylpropanoate Openeye Name: methyl 3-(1-methyl-2-oxo-2-phenyl-ethyl)sulfanylpropanoate CAS Name: 3-[(1-oxo-1-phenylpropan-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(1-oxo-1-phenylpropan-2-yl)sulfanylpropanoate Traditional Name: 3-[(2-keto-1-methyl-2-phenyl-ethyl)thio]propionic acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3S/c1-10(17-9-8-12(14)16-2)13(15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3