4-chloranyl-3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]benzoic acid Openeye Name: 4-chloro-3-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid CAS Name: 4-chloro-3-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(methylthio)nicotinoyl]amino]benzoic acid Formula: C14H11ClN2O3S MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C14H11ClN2O3S/c1-21-13-9(3-2-6-16-13)12(18)17-11-7-8(14(19)20)4-5-10(11)15/h2-7H,1H3,(H,17,18)(H,19,20)