methyl 2-(2-oxidanylidene-3-phenyl-propyl)sulfanylethanoate

Systemtic Name: methyl 2-(2-oxidanylidene-3-phenyl-propyl)sulfanylethanoate Openeye Name: methyl 2-(2-oxo-3-phenyl-propyl)sulfanylacetate CAS Name: 2-[(2-oxo-3-phenylpropyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-oxo-3-phenylpropyl)sulfanylacetate Traditional Name: 2-[(2-keto-3-phenyl-propyl)thio]acetic acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)CC1=CC=CC=C1

Isomeric SMILES

COC(=O)CSCC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C12H14O3S/c1-15-12(14)9-16-8-11(13)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3