tert-butyl 2-[[5,5-diethyl-2-[4-(trifluoromethyloxy)phenyl]imino-1,3-thiazinan-3-yl]carbothioylsulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[5,5-diethyl-2-[4-(trifluoromethyloxy)phenyl]imino-1,3-thiazinan-3-yl]carbothioylsulfanyl]ethanoate Openeye Name: tert-butyl 2-[5,5-diethyl-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazinane-3-carbothioyl]sulfanylacetate CAS Name: 2-[[[5,5-diethyl-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazinan-3-yl]-sulfanylidenemethyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5,5-diethyl-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazinane-3-carbothioyl]sulfanylacetate Traditional Name: 2-[[5,5-diethyl-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazinane-3-carbothioyl]thio]acetic acid tert-butyl ester Formula: C22H29F3N2O3S3 MolecularWeight: 522.66747

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(C(=NC2=CC=C(C=C2)OC(F)(F)F)SC1)C(=S)SCC(=O)OC(C)(C)C)CC

Isomeric SMILES

CCC1(CN(C(=NC2=CC=C(C=C2)OC(F)(F)F)SC1)C(=S)SCC(=O)OC(C)(C)C)CC

InChI

InChI=1S/C22H29F3N2O3S3/c1-6-21(7-2)13-27(19(31)32-12-17(28)30-20(3,4)5)18(33-14-21)26-15-8-10-16(11-9-15)29-22(23,24)25/h8-11H,6-7,12-14H2,1-5H3