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

Systemtic Name: methyl 2-chloranyl-5-[2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4S/c1-11-6-12(9-26-2)15(8-21)18(22-11)28-10-17(24)23-13-4-5-16(20)14(7-13)19(25)27-3/h4-7H,9-10H2,1-3H3,(H,23,24)