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

Systemtic Name: [2-(4-bromophenyl)sulfanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] furan-2-carboxylate Openeye Name: [2-(4-bromophenyl)sulfanyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl] furan-2-carboxylate CAS Name: 2-furancarboxylic 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] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-[(4-bromophenyl)thio]-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C19H17BrO4S MolecularWeight: 421.30488

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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=CC=CO3)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)Br)OC(=O)C3=CC=CO3)C

InChI

InChI=1S/C19H17BrO4S/c1-19(2)10-14(21)17(25-13-7-5-12(20)6-8-13)16(11-19)24-18(22)15-4-3-9-23-15/h3-9H,10-11H2,1-2H3