2-chloranyl-5-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[3-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[(1-methylimidazol-2-yl)thio]propanoylamino]benzoic acid Formula: C14H14ClN3O3S MolecularWeight: 339.79726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CN1C=CN=C1SCCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C14H14ClN3O3S/c1-18-6-5-16-14(18)22-7-4-12(19)17-9-2-3-11(15)10(8-9)13(20)21/h2-3,5-6,8H,4,7H2,1H3,(H,17,19)(H,20,21)