ethyl 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]propanoyl]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)C(C)SC2=NC=CN2C3=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-5-28-21(27)18-8-11-24(12-9-18)20(26)17(4)29-22-23-10-13-25(22)19-14-15(2)6-7-16(19)3/h6-7,10,13-14,17-18H,5,8-9,11-12H2,1-4H3