methyl 3-[2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[2-pyrrolidino-5-(trifluoromethyl)anilino]ethyl]thio]propionic acid methyl ester Formula: C17H21F3N2O3S MolecularWeight: 390.42045

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCC2

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCC2

InChI

InChI=1S/C17H21F3N2O3S/c1-25-16(24)6-9-26-11-15(23)21-13-10-12(17(18,19)20)4-5-14(13)22-7-2-3-8-22/h4-5,10H,2-3,6-9,11H2,1H3,(H,21,23)