methyl 4-oxidanylidene-5-(phenylmethylsulfanyl)heptanoate

Systemtic Name: methyl 4-oxidanylidene-5-(phenylmethylsulfanyl)heptanoate Openeye Name: methyl 5-benzylsulfanyl-4-oxo-heptanoate CAS Name: 4-oxo-5-(phenylmethylthio)heptanoic acid methyl ester IUPAC Name: methyl 5-benzylsulfanyl-4-oxoheptanoate Traditional Name: 5-(benzylthio)-4-keto-enanthic acid methyl ester Formula: C15H20O3S MolecularWeight: 280.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)CCC(=O)OC)SCC1=CC=CC=C1

Isomeric SMILES

CCC(C(=O)CCC(=O)OC)SCC1=CC=CC=C1

InChI

InChI=1S/C15H20O3S/c1-3-14(13(16)9-10-15(17)18-2)19-11-12-7-5-4-6-8-12/h4-8,14H,3,9-11H2,1-2H3