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

Systemtic Name: methyl 2-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C15H18ClF3N2O3S MolecularWeight: 398.82823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClF3N2O3S/c1-4-8(2)12(14(23)24-3)21-11(22)7-25-13-10(16)5-9(6-20-13)15(17,18)19/h5-6,8,12H,4,7H2,1-3H3,(H,21,22)