4-methyl-5-phenylmethoxycarbonyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-5-phenylmethoxycarbonyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]thiophene-3-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylic acid CAS Name: 4-methyl-5-phenylmethoxycarbonyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-5-phenylmethoxycarbonyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylic acid Traditional Name: 5-carbobenzoxy-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-3-thenoic acid Formula: C16H12F3NO5S MolecularWeight: 387.33039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)C(F)(F)F)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)C(F)(F)F)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H12F3NO5S/c1-8-10(13(21)22)12(20-15(24)16(17,18)19)26-11(8)14(23)25-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,20,24)(H,21,22)