ethyl 2-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-2-27-17(24)12-5-3-4-6-13(12)19-16(23)10-28-18-20-14-8-7-11(22(25)26)9-15(14)21-18/h3-9H,2,10H2,1H3,(H,19,23)(H,20,21)