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

Systemtic Name: 3-[5,7-dimethoxy-8-[(3R,4S)-1-methyl-3-oxidanyl-piperidin-4-yl]-4-oxidanylidene-chromen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidyl]-5,7-dimethoxy-4-oxo-chromen-2-yl]sulfanylpropanoic acid CAS Name: 3-[[8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidinyl]-5,7-dimethoxy-4-oxo-1-benzopyran-2-yl]thio]propanoic acid IUPAC Name: 3-[8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-5,7-dimethoxy-4-oxochromen-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidyl]-4-keto-5,7-dimethoxy-chromen-2-yl]thio]propionic acid Formula: C20H25NO7S MolecularWeight: 423.48

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO7S/c1-21-6-4-11(13(23)10-21)18-14(26-2)9-15(27-3)19-12(22)8-17(28-20(18)19)29-7-5-16(24)25/h8-9,11,13,23H,4-7,10H2,1-3H3,(H,24,25)/t11-,13+/m1/s1