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

Systemtic Name: 2-butylsulfanyl-5,7-dimethoxy-8-[(3R,4S)-1-methyl-3-oxidanyl-piperidin-4-yl]chromen-4-one Openeye Name: 2-butylsulfanyl-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidyl]-5,7-dimethoxy-chromen-4-one CAS Name: 2-(butylthio)-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidinyl]-5,7-dimethoxy-1-benzopyran-4-one IUPAC Name: 2-butylsulfanyl-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-5,7-dimethoxychromen-4-one Traditional Name: 2-(butylthio)-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidyl]-5,7-dimethoxy-chromone Formula: C21H29NO5S MolecularWeight: 407.52366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=O)C2=C(O1)C(=C(C=C2OC)OC)C3CCN(CC3O)C

Isomeric SMILES

CCCCSC1=CC(=O)C2=C(O1)C(=C(C=C2OC)OC)[C@@H]3CCN(C[C@@H]3O)C

InChI

InChI=1S/C21H29NO5S/c1-5-6-9-28-18-10-14(23)20-17(26-4)11-16(25-3)19(21(20)27-18)13-7-8-22(2)12-15(13)24/h10-11,13,15,24H,5-9,12H2,1-4H3/t13-,15+/m1/s1