ethyl 5-methyl-4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-phenacylsulfanyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-(phenacylthio)-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-phenacylsulfanyl-3-phenethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(phenacylthio)-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H24N2O4S2 MolecularWeight: 492.60976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H24N2O4S2/c1-3-32-25(31)22-17(2)21-23(34-22)27-26(33-16-20(29)19-12-8-5-9-13-19)28(24(21)30)15-14-18-10-6-4-7-11-18/h4-13H,3,14-16H2,1-2H3