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

Systemtic Name: 2-chloranyl-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C15H14ClN3O3S MolecularWeight: 351.80796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN3O3S/c1-8-5-9(2)18-15(17-8)23-7-13(20)19-10-3-4-12(16)11(6-10)14(21)22/h3-6H,7H2,1-2H3,(H,19,20)(H,21,22)