ethyl 3-[2-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[1-(4-ethoxyphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(1-p-phenetyltetrazol-5-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)OCC

InChI

InChI=1S/C20H21N5O4S/c1-3-28-17-10-8-16(9-11-17)25-20(22-23-24-25)30-13-18(26)21-15-7-5-6-14(12-15)19(27)29-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,26)