ethyl 4-oxidanylidene-4-phenyl-2-sulfanyl-butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-phenyl-2-sulfanyl-butanoate Openeye Name: ethyl 4-oxo-4-phenyl-2-sulfanyl-butanoate CAS Name: 2-mercapto-4-oxo-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-phenyl-2-sulfanylbutanoate Traditional Name: 4-keto-2-mercapto-4-phenyl-butyric acid ethyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC=CC=C1)S

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=CC=CC=C1)S

InChI

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