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

Systemtic Name: ethyl 1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidine-3-carboxylate CAS Name: 1-[2-[4-mercapto-3-(trifluoromethyl)phenyl]-1-oxoprop-2-enyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidine-3-carboxylate Traditional Name: 1-[2-[4-mercapto-3-(trifluoromethyl)phenyl]acryloyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C17H18F3NO3S MolecularWeight: 373.38993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18F3NO3S/c1-3-24-16(23)12-6-7-21(9-12)15(22)10(2)11-4-5-14(25)13(8-11)17(18,19)20/h4-5,8,12,25H,2-3,6-7,9H2,1H3