methyl 3-[[3-(trifluoromethyl)phenyl]carbamoylsulfanyl]propanoate

Systemtic Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamoylsulfanyl]propanoate Openeye Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamoylsulfanyl]propanoate CAS Name: 3-[[oxo-[3-(trifluoromethyl)anilino]methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamoylsulfanyl]propanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]carbamoylthio]propionic acid methyl ester Formula: C12H12F3NO3S MolecularWeight: 307.28879

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(=O)NC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

COC(=O)CCSC(=O)NC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C12H12F3NO3S/c1-19-10(17)5-6-20-11(18)16-9-4-2-3-8(7-9)12(13,14)15/h2-4,7H,5-6H2,1H3,(H,16,18)