5-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C16H12N4O6S MolecularWeight: 388.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O6S/c21-13-4-1-8(5-10(13)15(23)24)17-14(22)7-27-16-18-11-3-2-9(20(25)26)6-12(11)19-16/h1-6,21H,7H2,(H,17,22)(H,18,19)(H,23,24)