methyl 4-methyl-3-oxidanylidene-4-phenylsulfanyl-pentanoate

Systemtic Name: methyl 4-methyl-3-oxidanylidene-4-phenylsulfanyl-pentanoate Openeye Name: methyl 4-methyl-3-oxo-4-phenylsulfanyl-pentanoate CAS Name: 4-methyl-3-oxo-4-(phenylthio)pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-3-oxo-4-phenylsulfanylpentanoate Traditional Name: 3-keto-4-methyl-4-(phenylthio)valeric acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3S/c1-13(2,11(14)9-12(15)16-3)17-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3