(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (5-hydroxy-4-oxo-pyran-2-yl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (5-hydroxy-4-oxo-2-pyranyl)methyl ester IUPAC Name: (5-hydroxy-4-oxopyran-2-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (5-hydroxy-4-keto-pyran-2-yl)methyl ester Formula: C20H13NO5S MolecularWeight: 379.38592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC(=O)C(=CO4)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC(=O)C(=CO4)O

InChI

InChI=1S/C20H13NO5S/c22-17-8-12(25-11-18(17)23)10-26-20(24)14-9-16(19-6-3-7-27-19)21-15-5-2-1-4-13(14)15/h1-9,11,23H,10H2