ethyl 4-cyano-5-methylsulfanyl-3-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-methylsulfanyl-3-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-methylsulfanyl-3-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylate CAS Name: 4-cyano-5-(methylthio)-3-[2-(trifluoromethyl)phenyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-methylsulfanyl-3-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylate Traditional Name: 4-cyano-5-(methylthio)-3-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H12F3NO2S2 MolecularWeight: 371.39719

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SC)C#N)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SC)C#N)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C16H12F3NO2S2/c1-3-22-14(21)13-12(10(8-20)15(23-2)24-13)9-6-4-5-7-11(9)16(17,18)19/h4-7H,3H2,1-2H3