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

Systemtic Name: ethyl 3-[(4-chlorophenyl)methyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-[(4-chlorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(4-chlorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C27H25ClN2O5S2 MolecularWeight: 557.0808

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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)Cl)SCC4=C(C=CC(=C4)C(=O)C)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)Cl)SCC4=C(C=CC(=C4)C(=O)C)OC)C

InChI

InChI=1S/C27H25ClN2O5S2/c1-5-35-26(33)23-15(2)22-24(37-23)29-27(30(25(22)32)13-17-6-9-20(28)10-7-17)36-14-19-12-18(16(3)31)8-11-21(19)34-4/h6-12H,5,13-14H2,1-4H3