methyl 4-oxidanylidene-2-phenylsulfanyl-pentanoate

Systemtic Name: methyl 4-oxidanylidene-2-phenylsulfanyl-pentanoate Openeye Name: methyl 4-oxo-2-phenylsulfanyl-pentanoate CAS Name: 4-oxo-2-(phenylthio)pentanoic acid methyl ester IUPAC Name: methyl 4-oxo-2-phenylsulfanylpentanoate Traditional Name: 4-keto-2-(phenylthio)valeric acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C(=O)OC)SC1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(C(=O)OC)SC1=CC=CC=C1

InChI

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