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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)C2=CC=C(O2)CSC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1CCCCN1C(=O)C2=CC=C(O2)CSC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H27NO4S/c1-4-26-22(25)18-10-5-6-13-23(18)21(24)19-12-11-17(27-19)14-28-20-15(2)8-7-9-16(20)3/h7-9,11-12,18H,4-6,10,13-14H2,1-3H3