ethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-methyl-3-methylsulfanyl-2-oxidanylidene-indol-1-yl]propanoate

Systemtic Name: ethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-methyl-3-methylsulfanyl-2-oxidanylidene-indol-1-yl]propanoate Openeye Name: ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methyl-3-methylsulfanyl-2-oxo-indolin-1-yl]propanoate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methyl-3-(methylthio)-2-oxo-1-indolyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-methyl-3-methylsulfanyl-2-oxoindol-1-yl]propanoate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-keto-3-methyl-3-(methylthio)indolin-1-yl]propionic acid ethyl ester Formula: C22H21ClF3NO4S MolecularWeight: 487.91965

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1C2=C(C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)C(C1=O)(C)SC

Isomeric SMILES

CCOC(=O)C(C)N1C2=C(C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)C(C1=O)(C)SC

InChI

InChI=1S/C22H21ClF3NO4S/c1-5-30-19(28)12(2)27-17-8-7-14(11-15(17)21(3,32-4)20(27)29)31-18-9-6-13(10-16(18)23)22(24,25)26/h6-12H,5H2,1-4H3