2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-2-cyclopentyl-6-oxidanyl-5-phenylsulfanyl-3H-pyran-4-one

Systemtic Name: 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-2-cyclopentyl-6-oxidanyl-5-phenylsulfanyl-3H-pyran-4-one Openeye Name: 2-[2-(3-chloro-4-methoxy-phenyl)ethyl]-2-cyclopentyl-6-hydroxy-5-phenylsulfanyl-3H-pyran-4-one CAS Name: 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-cyclopentyl-6-hydroxy-5-(phenylthio)-3H-pyran-4-one IUPAC Name: 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-cyclopentyl-6-hydroxy-5-phenylsulfanyl-3H-pyran-4-one Traditional Name: 2-[2-(3-chloro-4-methoxy-phenyl)ethyl]-2-cyclopentyl-6-hydroxy-5-(phenylthio)-3H-pyran-4-one Formula: C25H27ClO4S MolecularWeight: 458.99748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2(CC(=O)C(=C(O2)O)SC3=CC=CC=C3)C4CCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2(CC(=O)C(=C(O2)O)SC3=CC=CC=C3)C4CCCC4)Cl

InChI

InChI=1S/C25H27ClO4S/c1-29-22-12-11-17(15-20(22)26)13-14-25(18-7-5-6-8-18)16-21(27)23(24(28)30-25)31-19-9-3-2-4-10-19/h2-4,9-12,15,18,28H,5-8,13-14,16H2,1H3