ethyl 1-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-(4-isopropylphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[[1-(4-propan-2-ylphenyl)-2-imidazolyl]thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-p-cumenylimidazol-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC=CN2C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC=CN2C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H31N3O3S/c1-5-29-22(28)19-10-13-25(14-11-19)21(27)17(4)30-23-24-12-15-26(23)20-8-6-18(7-9-20)16(2)3/h6-9,12,15-17,19H,5,10-11,13-14H2,1-4H3