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

Systemtic Name: ethyl 1-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(3,4-dimethylphenyl)thio]nicotinoyl]nipecotic acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H26N2O3S/c1-4-27-22(26)17-7-6-12-24(14-17)21(25)19-8-5-11-23-20(19)28-18-10-9-15(2)16(3)13-18/h5,8-11,13,17H,4,6-7,12,14H2,1-3H3