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

Systemtic Name: ethyl 4-[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(4-nitrophenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(4-nitrophenyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S/c1-2-29-19(26)14-3-5-15(6-4-14)22-18(25)13-30-20-21-11-12-23(20)16-7-9-17(10-8-16)24(27)28/h3-12H,2,13H2,1H3,(H,22,25)