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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)N

Isomeric SMILES

CCCCOC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)N

InChI

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