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

Systemtic Name: tert-butyl 4-[2-[4-phenylsulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-phenylsulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[4-(phenylthio)-3-(trifluoromethyl)phenyl]prop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-phenylsulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[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(=C)C2=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/c1-17(22(31)29-12-14-30(15-13-29)23(32)33-24(2,3)4)18-10-11-21(20(16-18)25(26,27)28)34-19-8-6-5-7-9-19/h5-11,16H,1,12-15H2,2-4H3