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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[3-(trifluoromethyl)phenyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[3-(trifluoromethyl)phenyl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H13F3N2O2S2 MolecularWeight: 386.41183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H13F3N2O2S2/c1-2-23-15(22)13-12(11(7-20)14(21)25-13)8-24-10-5-3-4-9(6-10)16(17,18)19/h3-6H,2,8,21H2,1H3