ethyl 4-(oxan-2-ylmethyl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(oxan-2-ylmethyl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(tetrahydropyran-2-ylmethyl)-1-[(E)-3-(2-thienyl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 4-(2-oxanylmethyl)-1-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(oxan-2-ylmethyl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 4-(tetrahydropyran-2-ylmethyl)-1-[(E)-3-(2-thienyl)acryloyl]isonipecotic acid ethyl ester Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C=CC2=CC=CS2)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)/C=C/C2=CC=CS2)CC3CCCCO3

InChI

InChI=1S/C21H29NO4S/c1-2-25-20(24)21(16-17-6-3-4-14-26-17)10-12-22(13-11-21)19(23)9-8-18-7-5-15-27-18/h5,7-9,15,17H,2-4,6,10-14,16H2,1H3/b9-8+