ethyl 5-bromanyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]coumarilic acid ethyl ester Formula: C14H11BrN2O3S2 MolecularWeight: 399.28274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=CS3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=CS3

InChI

InChI=1S/C14H11BrN2O3S2/c1-2-19-13(18)12-10(6-21-14-17-16-7-22-14)9-5-8(15)3-4-11(9)20-12/h3-5,7H,2,6H2,1H3