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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-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-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C20H17N3O3S/c1-3-13-11(2)17(12-6-4-5-7-14(12)21-13)20(25)26-10-16-22-15-8-9-27-18(15)19(24)23-16/h4-9H,3,10H2,1-2H3,(H,22,23,24)