[5,5-dimethyl-2-(4-methylphenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [5,5-dimethyl-2-(4-methylphenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [5,5-dimethyl-3-oxo-2-(p-tolylsulfanyl)cyclohexen-1-yl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic 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] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [3-keto-5,5-dimethyl-2-(p-tolylthio)cyclohexen-1-yl] ester Formula: C24H26O3S2 MolecularWeight: 426.59144

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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=CC4=C(S3)CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(CC(CC2=O)(C)C)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C24H26O3S2/c1-15-8-10-17(11-9-15)28-22-18(25)13-24(2,3)14-19(22)27-23(26)21-12-16-6-4-5-7-20(16)29-21/h8-12H,4-7,13-14H2,1-3H3