ethyl 5-bromanyl-3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]coumarilic acid ethyl ester Formula: C20H17BrN2O3S2 MolecularWeight: 477.39458

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O3S2/c1-4-25-20(24)17-14(13-7-12(21)5-6-15(13)26-17)8-27-18-16-10(2)11(3)28-19(16)23-9-22-18/h5-7,9H,4,8H2,1-3H3