ethyl 3-[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H18N4O5S MolecularWeight: 426.44572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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