1-[2-[2,3-bis(fluoranyl)-4-sulfanyl-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[2,3-bis(fluoranyl)-4-sulfanyl-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2,3-difluoro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2,3-difluoro-4-mercaptophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,3-difluoro-4-sulfanylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2,3-difluoro-4-mercapto-phenyl)acryloyl]isonipecotic acid Formula: C15H15F2NO3S MolecularWeight: 327.346306

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C(=C(C=C1)S)F)F)C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

C=C(C1=C(C(=C(C=C1)S)F)F)C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C15H15F2NO3S/c1-8(10-2-3-11(22)13(17)12(10)16)14(19)18-6-4-9(5-7-18)15(20)21/h2-3,9,22H,1,4-7H2,(H,20,21)