diethyl 2-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanedioate

Systemtic Name: diethyl 2-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanedioate Openeye Name: diethyl 2-(6-ethoxycarbonyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanedioate CAS Name: 2-(6-ethoxycarbonyl-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(6-ethoxycarbonyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanedioate Traditional Name: 2-(6-carbethoxy-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl)malonic acid diethyl ester Formula: C17H20N2O7S MolecularWeight: 396.4149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)C(C(=O)OCC)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)C(C(=O)OCC)C(=O)OCC)C

InChI

InChI=1S/C17H20N2O7S/c1-5-24-15(21)11(16(22)25-6-2)19-8-18-13-10(14(19)20)9(4)12(27-13)17(23)26-7-3/h8,11H,5-7H2,1-4H3