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

Systemtic Name: 1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-2-carboxylic acid CAS Name: 1-[2-[4-mercapto-3-(trifluoromethyl)phenyl]-1-oxoprop-2-enyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-2-carboxylic acid Traditional Name: 1-[2-[4-mercapto-3-(trifluoromethyl)phenyl]acryloyl]pipecolinic acid Formula: C16H16F3NO3S MolecularWeight: 359.36335

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)C(F)(F)F)C(=O)N2CCCCC2C(=O)O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)C(F)(F)F)C(=O)N2CCCCC2C(=O)O

InChI

InChI=1S/C16H16F3NO3S/c1-9(10-5-6-13(24)11(8-10)16(17,18)19)14(21)20-7-3-2-4-12(20)15(22)23/h5-6,8,12,24H,1-4,7H2,(H,22,23)