methyl 3-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C17H14ClF3N2O3S MolecularWeight: 418.81787

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C17H14ClF3N2O3S/c1-9-3-4-10(16(25)26-2)5-13(9)23-14(24)8-27-15-12(18)6-11(7-22-15)17(19,20)21/h3-7H,8H2,1-2H3,(H,23,24)