ethyl 2-[(E)-2-(3-ethoxy-4-methoxy-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(E)-2-(3-ethoxy-4-methoxy-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(E)-2-(3-ethoxy-4-methoxy-phenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(3-ethoxy-4-methoxy-phenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2)OC

InChI

InChI=1S/C21H22N2O5S/c1-5-27-15-11-13(7-9-14(15)26-4)8-10-16-22-19(24)17-12(3)18(21(25)28-6-2)29-20(17)23-16/h7-11H,5-6H2,1-4H3,(H,22,23,24)/b10-8+