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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl quinoline-2-carboxylate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C23H15N3O3S MolecularWeight: 413.4485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H15N3O3S/c27-21-20-16(14-6-2-1-3-7-14)13-30-22(20)26-19(25-21)12-29-23(28)18-11-10-15-8-4-5-9-17(15)24-18/h1-11,13H,12H2,(H,25,26,27)