ethyl 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-5-methyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-5-methyl-4-oxo-3-(2-oxolanylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-4-keto-5-methyl-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H28N2O6S2 MolecularWeight: 516.62962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3CCCO3)SCC4=C(C=CC(=C4)C(=O)C)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3CCCO3)SCC4=C(C=CC(=C4)C(=O)C)OC)C

InChI

InChI=1S/C25H28N2O6S2/c1-5-32-24(30)21-14(2)20-22(35-21)26-25(27(23(20)29)12-18-7-6-10-33-18)34-13-17-11-16(15(3)28)8-9-19(17)31-4/h8-9,11,18H,5-7,10,12-13H2,1-4H3