ethyl 3-(phenylmethylsulfanyl)-2-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]propanoate

Systemtic Name: ethyl 3-(phenylmethylsulfanyl)-2-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]propanoate CAS Name: 2-[[oxo-[4-(trifluoromethylthio)anilino]methyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[[4-(trifluoromethylthio)phenyl]carbamoylamino]propionic acid ethyl ester Formula: C20H21F3N2O3S2 MolecularWeight: 458.51755

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C20H21F3N2O3S2/c1-2-28-18(26)17(13-29-12-14-6-4-3-5-7-14)25-19(27)24-15-8-10-16(11-9-15)30-20(21,22)23/h3-11,17H,2,12-13H2,1H3,(H2,24,25,27)