tert-butyl 4-[(E)-3-[4-phenylsulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-[4-phenylsulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-[4-phenylsulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-oxo-3-[4-(phenylthio)-3-(trifluoromethyl)phenyl]prop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-[4-phenylsulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-[4-(phenylthio)-3-(trifluoromethyl)phenyl]acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H27F3N2O3S MolecularWeight: 492.55369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)SC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C25H27F3N2O3S/c1-24(2,3)33-23(32)30-15-13-29(14-16-30)22(31)12-10-18-9-11-21(20(17-18)25(26,27)28)34-19-7-5-4-6-8-19/h4-12,17H,13-16H2,1-3H3/b12-10+