methyl 3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O5S/c1-26-16(23)10-3-2-4-11(7-10)18-15(22)9-27-17-19-13-6-5-12(21(24)25)8-14(13)20-17/h2-8H,9H2,1H3,(H,18,22)(H,19,20)