ethyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-ethoxy-2-oxoethyl)thio]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethoxy-2-oxoethyl)sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)thio]-4-keto-5-methyl-3-piperonyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H22N2O7S2 MolecularWeight: 490.54928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O7S2/c1-4-28-16(25)10-32-22-23-19-17(12(3)18(33-19)21(27)29-5-2)20(26)24(22)9-13-6-7-14-15(8-13)31-11-30-14/h6-8H,4-5,9-11H2,1-3H3