6-[1-(3,4-dimethoxyphenyl)-1-(hydroxymethyl)-1,3-thiazol-4-yl]-2,3-bis(oxidanyl)-1H-quinolin-4-one

Systemtic Name: 6-[1-(3,4-dimethoxyphenyl)-1-(hydroxymethyl)-1,3-thiazol-4-yl]-2,3-bis(oxidanyl)-1H-quinolin-4-one Openeye Name: 6-[1-(3,4-dimethoxyphenyl)-1-(hydroxymethyl)thiazol-4-yl]-2,3-dihydroxy-1H-quinolin-4-one CAS Name: 6-[1-(3,4-dimethoxyphenyl)-1-(hydroxymethyl)-4-thiazolyl]-2,3-dihydroxy-1H-quinolin-4-one IUPAC Name: 6-[1-(3,4-dimethoxyphenyl)-1-(hydroxymethyl)-1,3-thiazol-4-yl]-2,3-dihydroxy-1H-quinolin-4-one Traditional Name: 6-[1-(3,4-dimethoxyphenyl)-1-methylol-thiazol-4-yl]-2,3-dihydroxy-4-quinolone Formula: C21H20N2O6S MolecularWeight: 428.4583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S2(C=C(N=C2)C3=CC4=C(C=C3)NC(=C(C4=O)O)O)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S2(C=C(N=C2)C3=CC4=C(C=C3)NC(=C(C4=O)O)O)CO)OC

InChI

InChI=1S/C21H20N2O6S/c1-28-17-6-4-13(8-18(17)29-2)30(11-24)9-16(22-10-30)12-3-5-15-14(7-12)19(25)20(26)21(27)23-15/h3-10,24,26H,11H2,1-2H3,(H2,23,25,27)