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

Systemtic Name: ethyl 2-chloranyl-5-[2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O4S/c1-4-28-20(26)15-8-14(5-6-17(15)21)24-18(25)11-29-19-16(9-22)13(10-27-3)7-12(2)23-19/h5-8H,4,10-11H2,1-3H3,(H,24,25)