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

Systemtic Name: 4-methyl-3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

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