methyl 2-methyl-3-oxidanylidene-3-phenyl-2-(sulfanylmethyl)propanoate

Systemtic Name: methyl 2-methyl-3-oxidanylidene-3-phenyl-2-(sulfanylmethyl)propanoate Openeye Name: methyl 2-methyl-3-oxo-3-phenyl-2-(sulfanylmethyl)propanoate CAS Name: 2-(mercaptomethyl)-2-methyl-3-oxo-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-methyl-3-oxo-3-phenyl-2-(sulfanylmethyl)propanoate Traditional Name: 3-keto-2-(mercaptomethyl)-2-methyl-3-phenyl-propionic acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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