ethyl 1-[(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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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)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)SC2=NC=CN2C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O4S/c1-4-28-20(26)16-9-12-23(13-10-16)19(25)15(2)29-21-22-11-14-24(21)17-5-7-18(27-3)8-6-17/h5-8,11,14-16H,4,9-10,12-13H2,1-3H3/t15-/m0/s1