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

Systemtic Name: [5,5-dimethyl-2-(4-methylphenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [5,5-dimethyl-3-oxo-2-(p-tolylsulfanyl)cyclohexen-1-yl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-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] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [3-keto-5,5-dimethyl-2-(p-tolylthio)cyclohexen-1-yl] ester Formula: C24H21ClO3S2 MolecularWeight: 457.00474

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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=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(CC(CC2=O)(C)C)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C24H21ClO3S2/c1-14-8-10-15(11-9-14)29-21-17(26)12-24(2,3)13-18(21)28-23(27)22-20(25)16-6-4-5-7-19(16)30-22/h4-11H,12-13H2,1-3H3