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

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

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

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)C=CC2=CC(=C(C=C2)S)C(F)(F)F


Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)/C=C/C2=CC(=C(C=C2)S)C(F)(F)F


InChI

InChI=1S/C16H16F3NO3S/c17-16(18,19)11-9-10(4-6-13(11)24)5-7-14(21)20-8-2-1-3-12(20)15(22)23/h4-7,9,12,24H,1-3,8H2,(H,22,23)/b7-5+


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