ethyl 4-cyano-5-propylsulfanyl-3-[4-(trifluoromethyloxy)phenyl]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-propylsulfanyl-3-[4-(trifluoromethyloxy)phenyl]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-propylsulfanyl-3-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxylate CAS Name: 4-cyano-5-(propylthio)-3-[4-(trifluoromethoxy)phenyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-propylsulfanyl-3-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxylate Traditional Name: 4-cyano-5-(propylthio)-3-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H16F3NO3S2 MolecularWeight: 415.44975

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=C(S1)C(=O)OCC)C2=CC=C(C=C2)OC(F)(F)F)C#N

Isomeric SMILES

CCCSC1=C(C(=C(S1)C(=O)OCC)C2=CC=C(C=C2)OC(F)(F)F)C#N

InChI

InChI=1S/C18H16F3NO3S2/c1-3-9-26-17-13(10-22)14(15(27-17)16(23)24-4-2)11-5-7-12(8-6-11)25-18(19,20)21/h5-8H,3-4,9H2,1-2H3