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

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

Systemtic Name:1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidine-3-carboxylic acid
Openeye Name:1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidine-3-carboxylic acid
CAS Name:1-[2-[4-mercapto-3-(trifluoromethyl)phenyl]-1-oxoprop-2-enyl]-3-pyrrolidinecarboxylic acid
IUPAC Name:1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidine-3-carboxylic acid
Traditional Name:1-[2-[4-mercapto-3-(trifluoromethyl)phenyl]acryloyl]pyrrolidine-3-carboxylic acid
Formula: C15H14F3NO3S
MolecularWeight: 345.33677
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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(C2)C(=O)O


Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)C(F)(F)F)C(=O)N2CCC(C2)C(=O)O


InChI

InChI=1S/C15H14F3NO3S/c1-8(13(20)19-5-4-10(7-19)14(21)22)9-2-3-12(23)11(6-9)15(16,17)18/h2-3,6,10,23H,1,4-5,7H2,(H,21,22)


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