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

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-oxidanylidene-2-phenacylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-oxo-2-phenacylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-oxo-2-(phenacylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-oxo-2-phenacylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(phenacylthio)-3-piperonyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H22N2O6S2 MolecularWeight: 522.59268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC4=C(C=C3)OCO4)SCC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC4=C(C=C3)OCO4)SCC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C26H22N2O6S2/c1-3-32-25(31)22-15(2)21-23(36-22)27-26(35-13-18(29)17-7-5-4-6-8-17)28(24(21)30)12-16-9-10-19-20(11-16)34-14-33-19/h4-11H,3,12-14H2,1-2H3