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

Systemtic Name: methyl 3-[2-oxidanylidene-2-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-oxo-2-[2-(1-piperidyl)-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[2-piperidino-5-(trifluoromethyl)anilino]ethyl]thio]propionic acid methyl ester Formula: C18H23F3N2O3S MolecularWeight: 404.44703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCCC2

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCCC2

InChI

InChI=1S/C18H23F3N2O3S/c1-26-17(25)7-10-27-12-16(24)22-14-11-13(18(19,20)21)5-6-15(14)23-8-3-2-4-9-23/h5-6,11H,2-4,7-10,12H2,1H3,(H,22,24)