methyl 5-but-3-enylsulfanyl-2,2-dimethyl-4-oxidanylidene-pentanoate

Systemtic Name: methyl 5-but-3-enylsulfanyl-2,2-dimethyl-4-oxidanylidene-pentanoate Openeye Name: methyl 5-but-3-enylsulfanyl-2,2-dimethyl-4-oxo-pentanoate CAS Name: 5-(but-3-enylthio)-2,2-dimethyl-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-but-3-enylsulfanyl-2,2-dimethyl-4-oxopentanoate Traditional Name: 5-(but-3-enylthio)-4-keto-2,2-dimethyl-valeric acid methyl ester Formula: C12H20O3S MolecularWeight: 244.3504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)CSCCC=C)C(=O)OC

Isomeric SMILES

CC(C)(CC(=O)CSCCC=C)C(=O)OC

InChI

InChI=1S/C12H20O3S/c1-5-6-7-16-9-10(13)8-12(2,3)11(14)15-4/h5H,1,6-9H2,2-4H3