4-chloranyl-1-cyano-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-5,5-di(pentan-2-yl)cyclohex-2-ene-1-carboxylic acid

Systemtic Name: 4-chloranyl-1-cyano-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-5,5-di(pentan-2-yl)cyclohex-2-ene-1-carboxylic acid Openeye Name: 4-chloro-1-cyano-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-5,5-bis(1-methylbutyl)cyclohex-2-ene-1-carboxylic acid CAS Name: 4-chloro-1-cyano-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-5,5-di(pentan-2-yl)-1-cyclohex-2-enecarboxylic acid IUPAC Name: 4-chloro-1-cyano-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-5,5-di(pentan-2-yl)cyclohex-2-ene-1-carboxylic acid Traditional Name: 4-chloro-1-cyano-6-[(4,6-dimethoxypyrimidin-2-yl)thio]-5,5-bis(1-methylbutyl)cyclohex-2-ene-1-carboxylic acid Formula: C24H34ClN3O4S MolecularWeight: 496.06246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(C=CC(C1SC2=NC(=CC(=N2)OC)OC)(C#N)C(=O)O)Cl)C(C)CCC

Isomeric SMILES

CCCC(C)C1(C(C=CC(C1SC2=NC(=CC(=N2)OC)OC)(C#N)C(=O)O)Cl)C(C)CCC

InChI

InChI=1S/C24H34ClN3O4S/c1-7-9-15(3)24(16(4)10-8-2)17(25)11-12-23(14-26,21(29)30)20(24)33-22-27-18(31-5)13-19(28-22)32-6/h11-13,15-17,20H,7-10H2,1-6H3,(H,29,30)