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

Systemtic Name: 2-ethylsulfanyl-5,7-dimethoxy-8-[(3R,4S)-1-methyl-3-oxidanyl-piperidin-4-yl]chromen-4-one Openeye Name: 2-ethylsulfanyl-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidyl]-5,7-dimethoxy-chromen-4-one CAS Name: 2-(ethylthio)-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidinyl]-5,7-dimethoxy-1-benzopyran-4-one IUPAC Name: 2-ethylsulfanyl-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-5,7-dimethoxychromen-4-one Traditional Name: 2-(ethylthio)-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidyl]-5,7-dimethoxy-chromone Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=O)C2=C(O1)C(=C(C=C2OC)OC)C3CCN(CC3O)C

Isomeric SMILES

CCSC1=CC(=O)C2=C(O1)C(=C(C=C2OC)OC)[C@@H]3CCN(C[C@@H]3O)C

InChI

InChI=1S/C19H25NO5S/c1-5-26-16-8-12(21)18-15(24-4)9-14(23-3)17(19(18)25-16)11-6-7-20(2)10-13(11)22/h8-9,11,13,22H,5-7,10H2,1-4H3/t11-,13+/m1/s1