(2-nitrophenyl)methyl 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: (2-nitrophenyl)methyl 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: (2-nitrophenyl)methyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid (2-nitrobenzyl) ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S/c1-23-11-10-21-20(23)30-13-18(25)22-16-8-4-3-7-15(16)19(26)29-12-14-6-2-5-9-17(14)24(27)28/h2-11H,12-13H2,1H3,(H,22,25)