4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13N3O3S/c1-16-7-6-14-13(16)20-8-11(17)15-10-4-2-9(3-5-10)12(18)19/h2-7H,8H2,1H3,(H,15,17)(H,18,19)