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

Systemtic Name: methyl 4-[2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-(2-thienyl)tetrazol-2-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(5-thiophen-2-yl-2-tetrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[5-(2-thienyl)tetrazol-2-yl]acetyl]amino]benzoic acid methyl ester Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O3S/c1-23-15(22)10-4-6-11(7-5-10)16-13(21)9-20-18-14(17-19-20)12-3-2-8-24-12/h2-8H,9H2,1H3,(H,16,21)