3-methyl-5-[3,3,3-tris(fluoranyl)propanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[3,3,3-tris(fluoranyl)propanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-(3,3,3-trifluoropropanoylamino)thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(3,3,3-trifluoro-1-oxopropyl)amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-(3,3,3-trifluoropropanoylamino)thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-(3,3,3-trifluoropropanoylamino)-2-thenoic acid Formula: C9H8F3NO3S MolecularWeight: 267.22493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)CC(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)CC(F)(F)F)C(=O)O

InChI

InChI=1S/C9H8F3NO3S/c1-4-2-6(17-7(4)8(15)16)13-5(14)3-9(10,11)12/h2H,3H2,1H3,(H,13,14)(H,15,16)