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

Systemtic Name: ethyl 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(1-phenyl-5-tetrazolyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(1-phenyltetrazol-5-yl)thio]methyl]coumarilic acid ethyl ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H16N4O3S/c1-2-25-18(24)17-15(14-10-6-7-11-16(14)26-17)12-27-19-20-21-22-23(19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3