ethyl 5-bromanyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(1-methyltetrazol-5-yl)thio]methyl]coumarilic acid ethyl ester Formula: C14H13BrN4O3S MolecularWeight: 397.24702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=NN3C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=NN3C

InChI

InChI=1S/C14H13BrN4O3S/c1-3-21-13(20)12-10(7-23-14-16-17-18-19(14)2)9-6-8(15)4-5-11(9)22-12/h4-6H,3,7H2,1-2H3