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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-3-phenyl-2-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-5-methyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-phenyl-2-(phenylmethylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(benzylthio)-4-keto-5-methyl-3-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H20N2O3S2 MolecularWeight: 436.5465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC4=CC=CC=C4)C

InChI

InChI=1S/C23H20N2O3S2/c1-3-28-22(27)19-15(2)18-20(30-19)24-23(29-14-16-10-6-4-7-11-16)25(21(18)26)17-12-8-5-9-13-17/h4-13H,3,14H2,1-2H3