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

Systemtic Name: 4-chloranyl-3-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[(1-methylimidazol-2-yl)thio]propanoylamino]benzoic acid Formula: C14H14ClN3O3S MolecularWeight: 339.79726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=NC=CN2C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=NC=CN2C

InChI

InChI=1S/C14H14ClN3O3S/c1-8(22-14-16-5-6-18(14)2)12(19)17-11-7-9(13(20)21)3-4-10(11)15/h3-8H,1-2H3,(H,17,19)(H,20,21)