2-(2-chlorophenyl)sulfanyl-5,7-dimethoxy-8-[(3S,4R)-1-methyl-3-oxidanyl-piperidin-4-yl]chromen-4-one

Systemtic Name: 2-(2-chlorophenyl)sulfanyl-5,7-dimethoxy-8-[(3S,4R)-1-methyl-3-oxidanyl-piperidin-4-yl]chromen-4-one Openeye Name: 2-(2-chlorophenyl)sulfanyl-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]-5,7-dimethoxy-chromen-4-one CAS Name: 2-[(2-chlorophenyl)thio]-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-5,7-dimethoxy-1-benzopyran-4-one IUPAC Name: 2-(2-chlorophenyl)sulfanyl-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-5,7-dimethoxychromen-4-one Traditional Name: 2-[(2-chlorophenyl)thio]-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]-5,7-dimethoxy-chromone Formula: C23H24ClNO5S MolecularWeight: 461.95836

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)SC4=CC=CC=C4Cl)OC)OC

Isomeric SMILES

CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)SC4=CC=CC=C4Cl)OC)OC

InChI

InChI=1S/C23H24ClNO5S/c1-25-9-8-13(16(27)12-25)21-17(28-2)11-18(29-3)22-15(26)10-20(30-23(21)22)31-19-7-5-4-6-14(19)24/h4-7,10-11,13,16,27H,8-9,12H2,1-3H3/t13-,16+/m0/s1