phenethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-(2-ethoxy-2-oxo-ethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2O5S/c1-3-26-15(23)11-22-12-21-18-16(19(22)24)13(2)17(28-18)20(25)27-10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3