2-chloranyl-5-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C17H14ClN3O3S MolecularWeight: 375.82936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)C

InChI

InChI=1S/C17H14ClN3O3S/c1-9-5-10(2)20-16(13(9)7-19)25-8-15(22)21-11-3-4-14(18)12(6-11)17(23)24/h3-6H,8H2,1-2H3,(H,21,22)(H,23,24)