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

Systemtic Name: ethyl 1-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-(2-isopropylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[[1-(2-propan-2-ylphenyl)-2-imidazolyl]thio]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-o-cumenylimidazol-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC=CC=C3C(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC=CC=C3C(C)C

InChI

InChI=1S/C22H29N3O3S/c1-4-28-21(27)17-9-12-24(13-10-17)20(26)15-29-22-23-11-14-25(22)19-8-6-5-7-18(19)16(2)3/h5-8,11,14,16-17H,4,9-10,12-13,15H2,1-3H3