methyl 4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]butanoate

Systemtic Name: methyl 4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]butanoate Openeye Name: methyl 4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]butanoate CAS Name: 4-[[oxo-[4-(trifluoromethylthio)anilino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]butanoate Traditional Name: 4-[[4-(trifluoromethylthio)phenyl]carbamoylamino]butyric acid methyl ester Formula: C13H15F3N2O3S MolecularWeight: 336.33001

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)NC1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

COC(=O)CCCNC(=O)NC1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C13H15F3N2O3S/c1-21-11(19)3-2-8-17-12(20)18-9-4-6-10(7-5-9)22-13(14,15)16/h4-7H,2-3,8H2,1H3,(H2,17,18,20)