methyl 4-[2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-[5-(2-thienyl)tetrazol-2-yl]acetyl]oxymethyl]benzoate CAS Name: 4-[[1-oxo-2-(5-thiophen-2-yl-2-tetrazolyl)ethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[5-(2-thienyl)tetrazol-2-yl]acetyl]oxymethyl]benzoic acid methyl ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)CN2N=C(N=N2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)CN2N=C(N=N2)C3=CC=CS3

InChI

InChI=1S/C16H14N4O4S/c1-23-16(22)12-6-4-11(5-7-12)10-24-14(21)9-20-18-15(17-19-20)13-3-2-8-25-13/h2-8H,9-10H2,1H3