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

Systemtic Name: methyl 2-[4-azanyl-2-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: methyl 2-[4-amino-2-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[4-amino-2-(trifluoromethyl)phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-amino-2-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[4-amino-2-(trifluoromethyl)phenyl]thio]acetic acid methyl ester Formula: C10H10F3NO2S MolecularWeight: 265.25211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10F3NO2S/c1-16-9(15)5-17-8-3-2-6(14)4-7(8)10(11,12)13/h2-4H,5,14H2,1H3