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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-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 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C30H21N3O4S MolecularWeight: 519.57044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)N4

InChI

InChI=1S/C30H21N3O4S/c1-36-20-13-11-19(12-14-20)25-15-22(21-9-5-6-10-24(21)31-25)30(35)37-16-26-32-28(34)27-23(17-38-29(27)33-26)18-7-3-2-4-8-18/h2-15,17H,16H2,1H3,(H,32,33,34)