ethyl 5-bromanyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(1-methylimidazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(1-methyl-2-imidazolyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(1-methylimidazol-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C16H15BrN2O3S MolecularWeight: 395.2709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC=CN3C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC=CN3C

InChI

InChI=1S/C16H15BrN2O3S/c1-3-21-15(20)14-12(9-23-16-18-6-7-19(16)2)11-8-10(17)4-5-13(11)22-14/h4-8H,3,9H2,1-2H3