ethyl 5-methyl-4-oxidanylidene-2-[(E)-2-quinolin-8-ylethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(E)-2-quinolin-8-ylethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[(E)-2-(8-quinolyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(E)-2-(8-quinolinyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[(E)-2-quinolin-8-ylethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(E)-2-(8-quinolyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C=CC3=CC=CC4=C3N=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)/C=C/C3=CC=CC4=C3N=CC=C4)C

InChI

InChI=1S/C21H17N3O3S/c1-3-27-21(26)18-12(2)16-19(25)23-15(24-20(16)28-18)10-9-14-7-4-6-13-8-5-11-22-17(13)14/h4-11H,3H2,1-2H3,(H,23,24,25)/b10-9+