[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C24H27BrO3S MolecularWeight: 475.43838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C24H27BrO3S/c1-16-13-23(17(2)12-21(16)25)29-15-24(27)28-14-22(26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-13,18H,3-7,14-15H2,1-2H3