methyl 4-[(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methylsulfanyl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 4-[(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methylsulfanyl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-[(5-bromo-2-ethoxycarbonyl-benzofuran-3-yl)methylsulfanyl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(5-bromo-2-ethoxycarbonyl-3-benzofuranyl)methylthio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-ethoxycarbonyl-1-benzofuran-3-yl)methylsulfanyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(5-bromo-2-carbethoxy-benzofuran-3-yl)methylthio]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H19BrN2O5S2 MolecularWeight: 535.43066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC(=NC4=C3C(=C(S4)C(=O)OC)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC(=NC4=C3C(=C(S4)C(=O)OC)C)C

InChI

InChI=1S/C22H19BrN2O5S2/c1-5-29-21(26)17-14(13-8-12(23)6-7-15(13)30-17)9-31-19-16-10(2)18(22(27)28-4)32-20(16)25-11(3)24-19/h6-8H,5,9H2,1-4H3