(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-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-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C21H12ClN3O3S2 MolecularWeight: 453.92128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C21H12ClN3O3S2/c22-17-6-5-16(30-17)15-9-12(11-3-1-2-4-13(11)23-15)21(27)28-10-18-24-14-7-8-29-19(14)20(26)25-18/h1-9H,10H2,(H,24,25,26)