methyl (1R)-4-ethylsulfanyl-6,6-dimethyl-2-oxidanylidene-3-pentanoyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1R)-4-ethylsulfanyl-6,6-dimethyl-2-oxidanylidene-3-pentanoyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R)-4-ethylsulfanyl-6,6-dimethyl-2-oxo-3-pentanoyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R)-4-(ethylthio)-6,6-dimethyl-2-oxo-3-(1-oxopentyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R)-4-ethylsulfanyl-6,6-dimethyl-2-oxo-3-pentanoylcyclohex-3-ene-1-carboxylate Traditional Name: (1R)-4-(ethylthio)-2-keto-6,6-dimethyl-3-valeryl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C17H26O4S MolecularWeight: 326.45094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)SCC

Isomeric SMILES

CCCCC(=O)C1=C(CC([C@H](C1=O)C(=O)OC)(C)C)SCC

InChI

InChI=1S/C17H26O4S/c1-6-8-9-11(18)13-12(22-7-2)10-17(3,4)14(15(13)19)16(20)21-5/h14H,6-10H2,1-5H3/t14-/m1/s1