ethyl 1-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(3-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(=CC=C3)OC

Isomeric SMILES

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

InChI

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