[(1R)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(1R)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C3=NC4=C(C(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

InChI=1S/C23H23N3O3S/c1-6-16-12(3)18(15-9-7-8-10-17(15)24-16)23(28)29-13(4)20-25-21(27)19-11(2)14(5)30-22(19)26-20/h7-10,13H,6H2,1-5H3,(H,25,26,27)/t13-/m1/s1