methyl 2-methyl-3-(2-phenylethanoylsulfanyl)propanoate

Systemtic Name: methyl 2-methyl-3-(2-phenylethanoylsulfanyl)propanoate Openeye Name: methyl 2-methyl-3-(2-phenylacetyl)sulfanyl-propanoate CAS Name: 2-methyl-3-[(1-oxo-2-phenylethyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-3-(2-phenylacetyl)sulfanylpropanoate Traditional Name: 2-methyl-3-[(2-phenylacetyl)thio]propionic acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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