dimethyl 4-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1,3-dicarboxylate

Systemtic Name: dimethyl 4-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1,3-dicarboxylate Openeye Name: dimethyl 4-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1,3-dicarboxylate CAS Name: 4-[2-[4-mercapto-3-(trifluoromethyl)phenyl]-1-oxoprop-2-enyl]piperazine-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1,3-dicarboxylate Traditional Name: 4-[2-[4-mercapto-3-(trifluoromethyl)phenyl]acryloyl]piperazine-1,3-dicarboxylic acid dimethyl ester Formula: C18H19F3N2O5S MolecularWeight: 432.41407

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C(=C)C2=CC(=C(C=C2)S)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C1CN(CCN1C(=O)C(=C)C2=CC(=C(C=C2)S)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C18H19F3N2O5S/c1-10(11-4-5-14(29)12(8-11)18(19,20)21)15(24)23-7-6-22(17(26)28-3)9-13(23)16(25)27-2/h4-5,8,13,29H,1,6-7,9H2,2-3H3