tert-butyl 2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: tert-butyl 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[2-amino-4-(trifluoromethyl)phenyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-amino-4-(trifluoromethyl)phenyl]thio]acetic acid tert-butyl ester Formula: C13H16F3NO2S MolecularWeight: 307.33185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C13H16F3NO2S/c1-12(2,3)19-11(18)7-20-10-5-4-8(6-9(10)17)13(14,15)16/h4-6H,7,17H2,1-3H3