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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CSC1=CC=CC=C1)CC2(CCCCC2=O)C(=O)OC

Isomeric SMILES

C/C(=C\SC1=CC=CC=C1)/CC2(CCCCC2=O)C(=O)OC

InChI

InChI=1S/C18H22O3S/c1-14(13-22-15-8-4-3-5-9-15)12-18(17(20)21-2)11-7-6-10-16(18)19/h3-5,8-9,13H,6-7,10-12H2,1-2H3/b14-13+