4-[[2-(2-methoxycarbonylthiophen-3-yl)oxy-5-(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-(2-methoxycarbonylthiophen-3-yl)oxy-5-(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(2-methoxycarbonyl-3-thienyl)oxy]-5-(trifluoromethyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[2-[(2-methoxycarbonyl-3-thiophenyl)oxy]-5-(trifluoromethyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-(2-methoxycarbonylthiophen-3-yl)oxy-5-(trifluoromethyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[2-[(2-carbomethoxy-3-thienyl)oxy]-5-(trifluoromethyl)anilino]-4-keto-butyric acid Formula: C17H14F3NO6S MolecularWeight: 417.35637

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCC(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H14F3NO6S/c1-26-16(25)15-12(6-7-28-15)27-11-3-2-9(17(18,19)20)8-10(11)21-13(22)4-5-14(23)24/h2-3,6-8H,4-5H2,1H3,(H,21,22)(H,23,24)