methyl 3-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylpropanoate Openeye Name: methyl 3-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanoate CAS Name: 3-[[2-amino-4-(trifluoromethyl)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanoate Traditional Name: 3-[[2-amino-4-(trifluoromethyl)phenyl]thio]propionic acid methyl ester Formula: C11H12F3NO2S MolecularWeight: 279.27869

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)C(F)(F)F)N

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C11H12F3NO2S/c1-17-10(16)4-5-18-9-3-2-7(6-8(9)15)11(12,13)14/h2-3,6H,4-5,15H2,1H3