4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoate Formula: C13H12N3O3S- MolecularWeight: 290.31768

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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)/p-1