methyl 1-[2-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(E)-3-(5-phenyl-2-thienyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(E)-1-oxo-3-(5-phenyl-2-thiophenyl)prop-2-enoxy]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(E)-3-(5-phenyl-2-thienyl)acryloyl]oxyacetyl]isonipecotic acid methyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C=CC2=CC=C(S2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)/C=C/C2=CC=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO5S/c1-27-22(26)17-11-13-23(14-12-17)20(24)15-28-21(25)10-8-18-7-9-19(29-18)16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3/b10-8+