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

Systemtic Name: ethyl 3-[2-(4-chlorophenyl)ethyl]-5-methyl-4-oxidanylidene-2-phenacylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[2-(4-chlorophenyl)ethyl]-5-methyl-4-oxo-2-phenacylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(4-chlorophenyl)ethyl]-5-methyl-4-oxo-2-(phenacylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-chlorophenyl)ethyl]-5-methyl-4-oxo-2-phenacylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-chlorophenyl)ethyl]-4-keto-5-methyl-2-(phenacylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H23ClN2O4S2 MolecularWeight: 527.05482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O4S2/c1-3-33-25(32)22-16(2)21-23(35-22)28-26(34-15-20(30)18-7-5-4-6-8-18)29(24(21)31)14-13-17-9-11-19(27)12-10-17/h4-12H,3,13-15H2,1-2H3