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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)C=CC2=CC(=C(C=C2)S)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCCN1C(=O)/C=C/C2=CC(=C(C=C2)S)C(F)(F)F

InChI

InChI=1S/C18H20F3NO3S/c1-2-25-17(24)14-5-3-4-10-22(14)16(23)9-7-12-6-8-15(26)13(11-12)18(19,20)21/h6-9,11,14,26H,2-5,10H2,1H3/b9-7+