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

Systemtic Name: butyl 2-chloranyl-5-[2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: butyl 2-chloro-5-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-chloro-5-[[2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=C(C(=CC(=N2)C)COC)C#N)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=C(C(=CC(=N2)C)COC)C#N)Cl

InChI

InChI=1S/C22H24ClN3O4S/c1-4-5-8-30-22(28)17-10-16(6-7-19(17)23)26-20(27)13-31-21-18(11-24)15(12-29-3)9-14(2)25-21/h6-7,9-10H,4-5,8,12-13H2,1-3H3,(H,26,27)