ethyl 4-[2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(4-ethoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-p-phenetylimidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H23N3O4S/c1-3-28-19-11-9-18(10-12-19)25-14-13-23-22(25)30-15-20(26)24-17-7-5-16(6-8-17)21(27)29-4-2/h5-14H,3-4,15H2,1-2H3,(H,24,26)