methyl 2-methyl-3-oxidanylidene-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-methyl-3-oxidanylidene-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-methyl-3-oxo-propanoate CAS Name: 2-methyl-3-oxo-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-methyl-3-oxopropanoate Traditional Name: 3-(benzylthio)-3-keto-2-methyl-propionic acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)C(=O)SCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)OC)C(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C12H14O3S/c1-9(11(13)15-2)12(14)16-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3