2-chloranyl-5-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propanoylamino]benzoic acid Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)C

InChI

InChI=1S/C16H16ClN3O3S/c1-9-7-10(2)19-16(18-9)24-6-5-14(21)20-11-3-4-13(17)12(8-11)15(22)23/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)(H,22,23)