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

Systemtic Name: ethyl 2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(E)-2-(4-butoxyphenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

InChI

InChI=1S/C22H24N2O4S/c1-4-6-13-28-16-10-7-15(8-11-16)9-12-17-23-20(25)18-14(3)19(22(26)27-5-2)29-21(18)24-17/h7-12H,4-6,13H2,1-3H3,(H,23,24,25)/b12-9+