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

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC3=NC4=C(C(=C(S4)C)C)C(=O)N3)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC3=NC4=C(C(=C(S4)C)C)C(=O)N3)C

InChI

InChI=1S/C22H21N3O3S/c1-5-15-18(12(3)14-8-6-7-9-16(14)23-15)22(27)28-10-17-24-20(26)19-11(2)13(4)29-21(19)25-17/h6-9H,5,10H2,1-4H3,(H,24,25,26)