methyl 4-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-mercapto-3-(trifluoromethyl)phenyl]-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-mercapto-3-(trifluoromethyl)phenyl]acryloyl]piperazine-1-carboxylic acid methyl ester Formula: C16H17F3N2O3S MolecularWeight: 374.37799

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)C(F)(F)F

Isomeric SMILES

COC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)C(F)(F)F

InChI

InChI=1S/C16H17F3N2O3S/c1-10(11-3-4-13(25)12(9-11)16(17,18)19)14(22)20-5-7-21(8-6-20)15(23)24-2/h3-4,9,25H,1,5-8H2,2H3