ethyl 4-[2-(2-acetyloxyethylsulfanyl)ethoxy]-6-(4-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-[2-(2-acetyloxyethylsulfanyl)ethoxy]-6-(4-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-[2-(2-acetoxyethylsulfanyl)ethoxy]-2-oxo-6-(p-tolyl)cyclohex-3-ene-1-carboxylate CAS Name: 4-[2-(2-acetyloxyethylthio)ethoxy]-6-(4-methylphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-acetyloxyethylsulfanyl)ethoxy]-6-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-[2-(2-acetoxyethylthio)ethoxy]-2-keto-6-(p-tolyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H28O6S MolecularWeight: 420.51912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)OCCSCCOC(=O)C)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)OCCSCCOC(=O)C)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H28O6S/c1-4-26-22(25)21-19(17-7-5-15(2)6-8-17)13-18(14-20(21)24)28-10-12-29-11-9-27-16(3)23/h5-8,14,19,21H,4,9-13H2,1-3H3