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

Systemtic Name: methyl 4-[2-[2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[2-[[1-(2,5-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]thio]acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N5O5S/c1-13-4-5-14(2)17(10-13)26-21(23-24-25-26)32-12-19(28)31-11-18(27)22-16-8-6-15(7-9-16)20(29)30-3/h4-10H,11-12H2,1-3H3,(H,22,27)