methyl 4-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylbutanoate

Systemtic Name: methyl 4-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylbutanoate Openeye Name: methyl 4-[2-amino-4-(trifluoromethyl)phenyl]sulfanylbutanoate CAS Name: 4-[[2-amino-4-(trifluoromethyl)phenyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[2-amino-4-(trifluoromethyl)phenyl]sulfanylbutanoate Traditional Name: 4-[[2-amino-4-(trifluoromethyl)phenyl]thio]butyric acid methyl ester Formula: C12H14F3NO2S MolecularWeight: 293.30527

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=C(C=C(C=C1)C(F)(F)F)N

Isomeric SMILES

COC(=O)CCCSC1=C(C=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C12H14F3NO2S/c1-18-11(17)3-2-6-19-10-5-4-8(7-9(10)16)12(13,14)15/h4-5,7H,2-3,6,16H2,1H3