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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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