methyl 3-[(E)-2-methyl-3-phenylsulfanyl-prop-2-enyl]-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 3-[(E)-2-methyl-3-phenylsulfanyl-prop-2-enyl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 3-[(E)-2-methyl-3-phenylsulfanyl-allyl]-2-oxo-cyclohexanecarboxylate CAS Name: 3-[(E)-2-methyl-3-(phenylthio)prop-2-enyl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-2-methyl-3-phenylsulfanylprop-2-enyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 2-keto-3-[(E)-2-methyl-3-(phenylthio)allyl]cyclohexanecarboxylic acid methyl ester Formula: C18H22O3S MolecularWeight: 318.43048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CSC1=CC=CC=C1)CC2CCCC(C2=O)C(=O)OC

Isomeric SMILES

C/C(=C\SC1=CC=CC=C1)/CC2CCCC(C2=O)C(=O)OC

InChI

InChI=1S/C18H22O3S/c1-13(12-22-15-8-4-3-5-9-15)11-14-7-6-10-16(17(14)19)18(20)21-2/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3/b13-12+