ethyl 2-[(4-cyanophenyl)carbonyloxymethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(4-cyanophenyl)carbonyloxymethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-cyanobenzoyl)oxymethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(4-cyanophenyl)-oxomethoxy]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyanobenzoyl)oxymethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-cyanobenzoyl)oxymethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)COC(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)COC(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C19H15N3O5S/c1-3-26-19(25)15-10(2)14-16(23)21-13(22-17(14)28-15)9-27-18(24)12-6-4-11(8-20)5-7-12/h4-7H,3,9H2,1-2H3,(H,21,22,23)