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

Systemtic Name: ethyl 1-[3-(4-fluorophenyl)-2-thiophen-3-yl-prop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(4-fluorophenyl)-2-(3-thienyl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[3-(4-fluorophenyl)-1-oxo-2-(3-thiophenyl)prop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-fluorophenyl)-2-(3-thienyl)acryloyl]isonipecotic acid ethyl ester Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)F)C3=CSC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)F)C3=CSC=C3

InChI

InChI=1S/C21H22FNO3S/c1-2-26-21(25)16-7-10-23(11-8-16)20(24)19(17-9-12-27-14-17)13-15-3-5-18(22)6-4-15/h3-6,9,12-14,16H,2,7-8,10-11H2,1H3