ethyl 1-[5-(1H-imidazol-2-yl)thiophen-2-yl]carbonyl-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(1H-imidazol-2-yl)thiophen-2-yl]carbonyl-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(E)-cinnamyl]-1-[5-(1H-imidazol-2-yl)thiophene-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(1H-imidazol-2-yl)-2-thiophenyl]-oxomethyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(1H-imidazol-2-yl)thiophene-2-carbonyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: 3-[(E)-cinnamyl]-1-[5-(1H-imidazol-2-yl)thiophene-2-carbonyl]nipecotic acid ethyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(S2)C3=NC=CN3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(S2)C3=NC=CN3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-2-31-24(30)25(13-6-10-19-8-4-3-5-9-19)14-7-17-28(18-25)23(29)21-12-11-20(32-21)22-26-15-16-27-22/h3-6,8-12,15-16H,2,7,13-14,17-18H2,1H3,(H,26,27)/b10-6+