(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C21H13N3O4S MolecularWeight: 403.41062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C21H13N3O4S/c25-20-19-15(7-9-29-19)23-18(24-20)11-28-21(26)13-10-16(17-6-3-8-27-17)22-14-5-2-1-4-12(13)14/h1-10H,11H2,(H,23,24,25)