[5,5-dimethyl-2-(4-methylphenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] furan-2-carboxylate

Systemtic Name: [5,5-dimethyl-2-(4-methylphenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] furan-2-carboxylate Openeye Name: [5,5-dimethyl-3-oxo-2-(p-tolylsulfanyl)cyclohexen-1-yl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [5,5-dimethyl-2-[(4-methylphenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-2-(4-methylphenyl)sulfanyl-3-oxocyclohexen-1-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [3-keto-5,5-dimethyl-2-(p-tolylthio)cyclohexen-1-yl] ester Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(CC(CC2=O)(C)C)OC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(CC(CC2=O)(C)C)OC(=O)C3=CC=CO3

InChI

InChI=1S/C20H20O4S/c1-13-6-8-14(9-7-13)25-18-15(21)11-20(2,3)12-17(18)24-19(22)16-5-4-10-23-16/h4-10H,11-12H2,1-3H3