6-[2-(5-chloranyl-2,4-dimethoxy-phenyl)ethyl]-6-cyclopentyl-3-pyrazin-2-ylsulfanyl-oxane-2,4-dione

Systemtic Name: 6-[2-(5-chloranyl-2,4-dimethoxy-phenyl)ethyl]-6-cyclopentyl-3-pyrazin-2-ylsulfanyl-oxane-2,4-dione Openeye Name: 6-[2-(5-chloro-2,4-dimethoxy-phenyl)ethyl]-6-cyclopentyl-3-pyrazin-2-ylsulfanyl-tetrahydropyran-2,4-dione CAS Name: 6-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-3-(2-pyrazinylthio)oxane-2,4-dione IUPAC Name: 6-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-3-pyrazin-2-ylsulfanyloxane-2,4-dione Traditional Name: 6-[2-(5-chloro-2,4-dimethoxy-phenyl)ethyl]-6-cyclopentyl-3-(pyrazin-2-ylthio)tetrahydropyran-2,4-quinone Formula: C24H27ClN2O5S MolecularWeight: 490.99958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CCC2(CC(=O)C(C(=O)O2)SC3=NC=CN=C3)C4CCCC4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1CCC2(CC(=O)C(C(=O)O2)SC3=NC=CN=C3)C4CCCC4)Cl)OC

InChI

InChI=1S/C24H27ClN2O5S/c1-30-19-12-20(31-2)17(25)11-15(19)7-8-24(16-5-3-4-6-16)13-18(28)22(23(29)32-24)33-21-14-26-9-10-27-21/h9-12,14,16,22H,3-8,13H2,1-2H3