ethyl 2-[2-azanyl-4-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]-2-methylsulfanyl-ethanoate

Systemtic Name: ethyl 2-[2-azanyl-4-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]-2-methylsulfanyl-ethanoate Openeye Name: ethyl 2-[2-amino-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]-2-methylsulfanyl-acetate CAS Name: 2-[2-amino-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]-2-(methylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]-2-methylsulfanylacetate Traditional Name: 2-[2-amino-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]-2-(methylthio)acetic acid ethyl ester Formula: C18H17ClF3NO3S MolecularWeight: 419.84569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)N)SC

Isomeric SMILES

CCOC(=O)C(C1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)N)SC

InChI

InChI=1S/C18H17ClF3NO3S/c1-3-25-17(24)16(27-2)12-6-5-11(9-14(12)23)26-15-7-4-10(8-13(15)19)18(20,21)22/h4-9,16H,3,23H2,1-2H3