4-[2-methoxycarbonyl-3-oxidanyl-7-(trifluoromethyl)-2H-1-benzothiophen-3-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[2-methoxycarbonyl-3-oxidanyl-7-(trifluoromethyl)-2H-1-benzothiophen-3-yl]piperidine-1-carboxylic acid Openeye Name: 4-[3-hydroxy-2-methoxycarbonyl-7-(trifluoromethyl)-2H-benzothiophen-3-yl]piperidine-1-carboxylic acid CAS Name: 4-[3-hydroxy-2-methoxycarbonyl-7-(trifluoromethyl)-2H-1-benzothiophen-3-yl]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-hydroxy-2-methoxycarbonyl-7-(trifluoromethyl)-2H-1-benzothiophen-3-yl]piperidine-1-carboxylic acid Traditional Name: 4-[2-carbomethoxy-3-hydroxy-7-(trifluoromethyl)-2H-benzothiophen-3-yl]piperidine-1-carboxylic acid Formula: C17H18F3NO5S MolecularWeight: 405.38873

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=C(S1)C(=CC=C2)C(F)(F)F)(C3CCN(CC3)C(=O)O)O

Isomeric SMILES

COC(=O)C1C(C2=C(S1)C(=CC=C2)C(F)(F)F)(C3CCN(CC3)C(=O)O)O

InChI

InChI=1S/C17H18F3NO5S/c1-26-14(22)13-16(25,9-5-7-21(8-6-9)15(23)24)10-3-2-4-11(12(10)27-13)17(18,19)20/h2-4,9,13,25H,5-8H2,1H3,(H,23,24)