ethyl 2-[4-methyl-2-[1-oxidanidyl-6-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: ethyl 2-[4-methyl-2-[1-oxidanidyl-6-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanyl-1,3-thiazol-5-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-2-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanyl-thiazol-5-yl]acetate CAS Name: 2-[4-methyl-2-[[1-oxido-6-(trifluoromethyl)-2-pyridin-1-iumyl]thio]-5-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-2-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[4-methyl-2-[[1-oxido-6-(trifluoromethyl)pyridin-1-ium-2-yl]thio]thiazol-5-yl]acetic acid ethyl ester Formula: C14H13F3N2O3S2 MolecularWeight: 378.38983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C(S1)SC2=CC=CC(=[N+]2[O-])C(F)(F)F)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C(S1)SC2=CC=CC(=[N+]2[O-])C(F)(F)F)C

InChI

InChI=1S/C14H13F3N2O3S2/c1-3-22-12(20)7-9-8(2)18-13(23-9)24-11-6-4-5-10(19(11)21)14(15,16)17/h4-6H,3,7H2,1-2H3