ethyl 3-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[3-(3-acetylphenoxy)-2-hydroxy-propyl]-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-2,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[3-(3-acetylphenoxy)-2-hydroxy-propyl]-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC(COC3=CC=CC(=C3)C(=O)C)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC(COC3=CC=CC(=C3)C(=O)C)O)C)C

InChI

InChI=1S/C22H24N2O6S/c1-5-29-22(28)19-12(2)18-20(31-19)23-14(4)24(21(18)27)10-16(26)11-30-17-8-6-7-15(9-17)13(3)25/h6-9,16,26H,5,10-11H2,1-4H3