4-chloranyl-3-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 4-chloranyl-3-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 4-chloro-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-chloro-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoate Formula: C13H11ClN3O3S- MolecularWeight: 324.76274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)[O-])Cl

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)[O-])Cl

InChI

InChI=1S/C13H12ClN3O3S/c1-17-5-4-15-13(17)21-7-11(18)16-10-6-8(12(19)20)2-3-9(10)14/h2-6H,7H2,1H3,(H,16,18)(H,19,20)/p-1