ethyl 4-[2-[(Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoyl]oxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoyl]oxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(Z)-3-(4-fluorophenyl)-2-(2-thienyl)prop-2-enoyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(Z)-3-(4-fluorophenyl)-1-oxo-2-thiophen-2-ylprop-2-enoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(Z)-3-(4-fluorophenyl)-2-(2-thienyl)acryloyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C(=CC2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)/C(=C/C2=CC=C(C=C2)F)/C3=CC=CS3

InChI

InChI=1S/C22H23FN2O5S/c1-2-29-22(28)25-11-9-24(10-12-25)20(26)15-30-21(27)18(19-4-3-13-31-19)14-16-5-7-17(23)8-6-16/h3-8,13-14H,2,9-12,15H2,1H3/b18-14+