methyl 2-methyl-3-(phenylcarbonylsulfanyl)propanoate

Systemtic Name: methyl 2-methyl-3-(phenylcarbonylsulfanyl)propanoate Openeye Name: methyl 3-benzoylsulfanyl-2-methyl-propanoate CAS Name: 3-(benzoylthio)-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-benzoylsulfanyl-2-methylpropanoate Traditional Name: 3-(benzoylthio)-2-methyl-propionic acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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