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

Systemtic Name: ethyl 5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-2-phenacylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-phenacylsulfanyl-3-(p-tolylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-2-(phenacylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-2-phenacylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(4-methylbenzyl)-2-(phenacylthio)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)CC3=CC=C(C=C3)C)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H24N2O4S2/c1-4-32-25(31)22-17(3)21-23(34-22)27-26(33-15-20(29)19-8-6-5-7-9-19)28(24(21)30)14-18-12-10-16(2)11-13-18/h5-13H,4,14-15H2,1-3H3