ethyl 5-bromanyl-3-(pyrimidin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(pyrimidin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-(pyrimidin-2-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(2-pyrimidinylthio)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(pyrimidin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(2-pyrimidylthio)methyl]coumarilic acid ethyl ester Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC=CC=N3

InChI

InChI=1S/C16H13BrN2O3S/c1-2-21-15(20)14-12(9-23-16-18-6-3-7-19-16)11-8-10(17)4-5-13(11)22-14/h3-8H,2,9H2,1H3