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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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