methyl 4-cyano-3-methyl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C16H12F3N3O3S MolecularWeight: 383.34499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)NC2=CC=C(C=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)NC2=CC=C(C=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C16H12F3N3O3S/c1-8-11(7-20)13(26-12(8)14(23)25-2)22-15(24)21-10-5-3-9(4-6-10)16(17,18)19/h3-6H,1-2H3,(H2,21,22,24)