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

Systemtic Name: ethyl 5-methanoyl-4-methylsulfanyl-2-[2-(trifluoromethyl)phenyl]thiophene-3-carboxylate Openeye Name: ethyl 5-formyl-4-methylsulfanyl-2-[2-(trifluoromethyl)phenyl]thiophene-3-carboxylate CAS Name: 5-formyl-4-(methylthio)-2-[2-(trifluoromethyl)phenyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-formyl-4-methylsulfanyl-2-[2-(trifluoromethyl)phenyl]thiophene-3-carboxylate Traditional Name: 5-formyl-4-(methylthio)-2-[2-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid ethyl ester Formula: C16H13F3O3S2 MolecularWeight: 374.39783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1SC)C=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1SC)C=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C16H13F3O3S2/c1-3-22-15(21)12-13(24-11(8-20)14(12)23-2)9-6-4-5-7-10(9)16(17,18)19/h4-8H,3H2,1-2H3