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

Systemtic Name: ethyl 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(1-methyl-5-tetrazolyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(1-methyltetrazol-5-yl)thio]methyl]coumarilic acid ethyl ester Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=NN3C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=NN3C

InChI

InChI=1S/C14H14N4O3S/c1-3-20-13(19)12-10(8-22-14-15-16-17-18(14)2)9-6-4-5-7-11(9)21-12/h4-7H,3,8H2,1-2H3