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

Systemtic Name: [2-(4-bromophenyl)sulfanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-bromophenyl)sulfanyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[(4-bromophenyl)thio]-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(4-bromophenyl)sulfanyl-5,5-dimethyl-3-oxocyclohexen-1-yl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-[(4-bromophenyl)thio]-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C23H18BrClO3S2 MolecularWeight: 521.87422

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)Br)OC(=O)C3=C(C4=CC=CC=C4S3)Cl)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)Br)OC(=O)C3=C(C4=CC=CC=C4S3)Cl)C

InChI

InChI=1S/C23H18BrClO3S2/c1-23(2)11-16(26)20(29-14-9-7-13(24)8-10-14)17(12-23)28-22(27)21-19(25)15-5-3-4-6-18(15)30-21/h3-10H,11-12H2,1-2H3