methyl 2-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]-2-methyl-propanoate CAS Name: 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-2-methylpropanoate Traditional Name: 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]-2-methyl-propionic acid methyl ester Formula: C13H14ClF3N2O3S MolecularWeight: 370.77507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)CSC1=C(C=C(C=N1)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)CSC1=C(C=C(C=N1)C(F)(F)F)Cl

InChI

InChI=1S/C13H14ClF3N2O3S/c1-12(2,11(21)22-3)19-9(20)6-23-10-8(14)4-7(5-18-10)13(15,16)17/h4-5H,6H2,1-3H3,(H,19,20)