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

Systemtic Name: ethyl 4-[2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-o-phenetyl-1,3,4-oxadiazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H21N3O5S/c1-3-27-17-8-6-5-7-16(17)19-23-24-21(29-19)30-13-18(25)22-15-11-9-14(10-12-15)20(26)28-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,25)