ethyl 4-[[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(3,4-dimethylphenyl)thio]nicotinoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N=CC=C2)SC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N=CC=C2)SC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H27N3O3S/c1-4-28-22(27)25-12-9-17(10-13-25)24-20(26)19-6-5-11-23-21(19)29-18-8-7-15(2)16(3)14-18/h5-8,11,14,17H,4,9-10,12-13H2,1-3H3,(H,24,26)