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

Systemtic Name: propyl 2-chloranyl-5-[2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4S/c1-4-7-29-21(27)16-9-15(5-6-18(16)22)25-19(26)12-30-20-17(10-23)14(11-28-3)8-13(2)24-20/h5-6,8-9H,4,7,11-12H2,1-3H3,(H,25,26)