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

Systemtic Name: 2-chloranyl-5-[2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]acetyl]amino]benzoic acid Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H16ClN3O4S/c1-10-5-11(8-26-2)14(7-20)17(21-10)27-9-16(23)22-12-3-4-15(19)13(6-12)18(24)25/h3-6H,8-9H2,1-2H3,(H,22,23)(H,24,25)