ethyl 5-bromanyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(4-thieno[2,3-d]pyrimidinylthio)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(thieno[2,3-d]pyrimidin-4-ylthio)methyl]coumarilic acid ethyl ester Formula: C18H13BrN2O3S2 MolecularWeight: 449.34142

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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=CS4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C18H13BrN2O3S2/c1-2-23-18(22)15-13(12-7-10(19)3-4-14(12)24-15)8-26-17-11-5-6-25-16(11)20-9-21-17/h3-7,9H,2,8H2,1H3