ethyl 4-ethylsulfanyl-6-(4-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-ethylsulfanyl-6-(4-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-ethylsulfanyl-2-oxo-6-(p-tolyl)cyclohex-3-ene-1-carboxylate CAS Name: 4-(ethylthio)-6-(4-methylphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethylsulfanyl-6-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-(ethylthio)-2-keto-6-(p-tolyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O3S/c1-4-21-18(20)17-15(13-8-6-12(3)7-9-13)10-14(22-5-2)11-16(17)19/h6-9,11,15,17H,4-5,10H2,1-3H3