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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(E)-2-(4-propoxyphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[(E)-2-(4-propoxyphenyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(E)-2-(4-propoxyphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[(E)-2-(4-propoxyphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(E)-2-(4-propoxyphenyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

InChI

InChI=1S/C21H22N2O4S/c1-4-12-27-15-9-6-14(7-10-15)8-11-16-22-19(24)17-13(3)18(21(25)26-5-2)28-20(17)23-16/h6-11H,4-5,12H2,1-3H3,(H,22,23,24)/b11-8+