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

Systemtic Name: 5,7-dimethoxy-8-[(3R,4S)-1-methyl-3-oxidanyl-piperidin-4-yl]-2-sulfanyl-chromen-4-one Openeye Name: 8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidyl]-5,7-dimethoxy-2-sulfanyl-chromen-4-one CAS Name: 8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidinyl]-2-mercapto-5,7-dimethoxy-1-benzopyran-4-one IUPAC Name: 8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-5,7-dimethoxy-2-sulfanylchromen-4-one Traditional Name: 8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidyl]-2-mercapto-5,7-dimethoxy-chromone Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)S)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5S/c1-18-5-4-9(11(20)8-18)15-12(21-2)7-13(22-3)16-10(19)6-14(24)23-17(15)16/h6-7,9,11,20,24H,4-5,8H2,1-3H3/t9-,11+/m1/s1