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

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

Systemtic Name:1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylic acid
Openeye Name:1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylic acid
CAS Name:1-[2-[4-mercapto-3-(trifluoromethyl)phenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylic acid
Traditional Name:1-[2-[4-mercapto-3-(trifluoromethyl)phenyl]acryloyl]isonipecotic 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)N2CCC(CC2)C(=O)O


Isomeric SMILES

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


InChI

InChI=1S/C16H16F3NO3S/c1-9(11-2-3-13(24)12(8-11)16(17,18)19)14(21)20-6-4-10(5-7-20)15(22)23/h2-3,8,10,24H,1,4-7H2,(H,22,23)


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