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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-phenacylsulfanyl-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-benzyl-5-methyl-4-oxo-2-phenacylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-(phenacylthio)-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-5-methyl-4-oxo-2-phenacylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-benzyl-4-keto-5-methyl-2-(phenacylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H22N2O4S2 MolecularWeight: 478.58318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S2/c1-3-31-24(30)21-16(2)20-22(33-21)26-25(32-15-19(28)18-12-8-5-9-13-18)27(23(20)29)14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3