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

Systemtic Name: 2-chloranyl-5-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3S/c1-9-10(2)14(7-20)17(21-11(9)3)26-8-16(23)22-12-4-5-15(19)13(6-12)18(24)25/h4-6H,8H2,1-3H3,(H,22,23)(H,24,25)