methyl 5-butyl-3,4-bis[2,2,2-tris(fluoranyl)ethanoylamino]-2H-thiophene-5-carboxylate

Systemtic Name: methyl 5-butyl-3,4-bis[2,2,2-tris(fluoranyl)ethanoylamino]-2H-thiophene-5-carboxylate Openeye Name: methyl 5-butyl-3,4-bis[(2,2,2-trifluoroacetyl)amino]-2H-thiophene-5-carboxylate CAS Name: 5-butyl-3,4-bis[(2,2,2-trifluoro-1-oxoethyl)amino]-2H-thiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 5-butyl-3,4-bis[(2,2,2-trifluoroacetyl)amino]-2H-thiophene-5-carboxylate Traditional Name: 5-butyl-3,4-bis[(2,2,2-trifluoroacetyl)amino]-2H-thiophene-5-carboxylic acid methyl ester Formula: C14H16F6N2O4S MolecularWeight: 422.343259

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=C(CS1)NC(=O)C(F)(F)F)NC(=O)C(F)(F)F)C(=O)OC

Isomeric SMILES

CCCCC1(C(=C(CS1)NC(=O)C(F)(F)F)NC(=O)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C14H16F6N2O4S/c1-3-4-5-12(11(25)26-2)8(22-10(24)14(18,19)20)7(6-27-12)21-9(23)13(15,16)17/h3-6H2,1-2H3,(H,21,23)(H,22,24)