6-[2-(5-chloranyl-2,4-dimethoxy-phenyl)ethyl]-6-cyclopentyl-3-[5-(hydroxymethyl)-1-methyl-imidazol-2-yl]sulfanyl-oxane-2,4-dione

Systemtic Name: 6-[2-(5-chloranyl-2,4-dimethoxy-phenyl)ethyl]-6-cyclopentyl-3-[5-(hydroxymethyl)-1-methyl-imidazol-2-yl]sulfanyl-oxane-2,4-dione Openeye Name: 6-[2-(5-chloro-2,4-dimethoxy-phenyl)ethyl]-6-cyclopentyl-3-[5-(hydroxymethyl)-1-methyl-imidazol-2-yl]sulfanyl-tetrahydropyran-2,4-dione CAS Name: 6-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-3-[[5-(hydroxymethyl)-1-methyl-2-imidazolyl]thio]oxane-2,4-dione IUPAC Name: 6-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyloxane-2,4-dione Traditional Name: 6-[2-(5-chloro-2,4-dimethoxy-phenyl)ethyl]-6-cyclopentyl-3-[(1-methyl-5-methylol-imidazol-2-yl)thio]tetrahydropyran-2,4-quinone Formula: C25H31ClN2O6S MolecularWeight: 523.04144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC2C(=O)CC(OC2=O)(CCC3=CC(=C(C=C3OC)OC)Cl)C4CCCC4)CO

Isomeric SMILES

CN1C(=CN=C1SC2C(=O)CC(OC2=O)(CCC3=CC(=C(C=C3OC)OC)Cl)C4CCCC4)CO

InChI

InChI=1S/C25H31ClN2O6S/c1-28-17(14-29)13-27-24(28)35-22-19(30)12-25(34-23(22)31,16-6-4-5-7-16)9-8-15-10-18(26)21(33-3)11-20(15)32-2/h10-11,13,16,22,29H,4-9,12,14H2,1-3H3