ethyl 1-[5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[[(2,6-dimethylphenyl)thio]methyl]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-[[(2,6-dimethylphenyl)thio]methyl]-2-furoyl]nipecotic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CSC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CSC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H27NO4S/c1-4-26-22(25)17-9-6-12-23(13-17)21(24)19-11-10-18(27-19)14-28-20-15(2)7-5-8-16(20)3/h5,7-8,10-11,17H,4,6,9,12-14H2,1-3H3