ethyl 5-chloranyl-3-[3,3,3-tris(fluoranyl)propylsulfanyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-[3,3,3-tris(fluoranyl)propylsulfanyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-chloro-3-(3,3,3-trifluoropropylsulfanyl)-1H-indole-2-carboxylate CAS Name: 5-chloro-3-(3,3,3-trifluoropropylthio)-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-3-(3,3,3-trifluoropropylsulfanyl)-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-(3,3,3-trifluoropropylthio)-1H-indole-2-carboxylic acid ethyl ester Formula: C14H13ClF3NO2S MolecularWeight: 351.77173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)SCCC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)SCCC(F)(F)F

InChI

InChI=1S/C14H13ClF3NO2S/c1-2-21-13(20)11-12(22-6-5-14(16,17)18)9-7-8(15)3-4-10(9)19-11/h3-4,7,19H,2,5-6H2,1H3