methyl 2-[2-[[4-azanyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-[[4-azanyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[4-amino-3-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-amino-3-(trifluoromethyl)anilino]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-amino-3-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[4-amino-3-(trifluoromethyl)anilino]-2-keto-ethyl]thio]acetic acid methyl ester Formula: C12H13F3N2O3S MolecularWeight: 322.30343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)NC1=CC(=C(C=C1)N)C(F)(F)F

Isomeric SMILES

COC(=O)CSCC(=O)NC1=CC(=C(C=C1)N)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O3S/c1-20-11(19)6-21-5-10(18)17-7-2-3-9(16)8(4-7)12(13,14)15/h2-4H,5-6,16H2,1H3,(H,17,18)