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

Systemtic Name: ethyl 1-[(E)-3-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-3-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-[4-mercapto-3-(trifluoromethyl)phenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-[4-mercapto-3-(trifluoromethyl)phenyl]acryloyl]isonipecotic acid ethyl ester Formula: C18H20F3NO3S MolecularWeight: 387.41651

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)S)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)S)C(F)(F)F

InChI

InChI=1S/C18H20F3NO3S/c1-2-25-17(24)13-7-9-22(10-8-13)16(23)6-4-12-3-5-15(26)14(11-12)18(19,20)21/h3-6,11,13,26H,2,7-10H2,1H3/b6-4+