methyl 5-phenyl-3-[[4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 5-phenyl-3-[[4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 5-phenyl-3-[(4,4,4-trifluoro-3-oxo-butanoyl)amino]thiophene-2-carboxylate CAS Name: 5-phenyl-3-[(4,4,4-trifluoro-1,3-dioxobutyl)amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-3-[(4,4,4-trifluoro-3-oxobutanoyl)amino]thiophene-2-carboxylate Traditional Name: 5-phenyl-3-[(4,4,4-trifluoro-3-keto-butanoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C16H12F3NO4S MolecularWeight: 371.33099

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CC(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CC(=O)C(F)(F)F

InChI

InChI=1S/C16H12F3NO4S/c1-24-15(23)14-10(20-13(22)8-12(21)16(17,18)19)7-11(25-14)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,20,22)