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

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-piperonyl-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)NC(=S)N(C2=O)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)NC(=S)N(C2=O)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C18H16N2O5S2/c1-3-23-17(22)14-9(2)13-15(27-14)19-18(26)20(16(13)21)7-10-4-5-11-12(6-10)25-8-24-11/h4-6H,3,7-8H2,1-2H3,(H,19,26)