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

Systemtic Name: 2-chloranyl-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]benzoate Formula: C15H13ClN3O3S- MolecularWeight: 350.80002

Click to see the large picture

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)/p-1