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

Systemtic Name: ethyl 1-[5-(2,6-dimethylphenyl)sulfanylfuran-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(2,6-dimethylphenyl)sulfanylfuran-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[(2,6-dimethylphenyl)thio]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2,6-dimethylphenyl)sulfanylfuran-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-[(2,6-dimethylphenyl)thio]-2-furoyl]nipecotic acid ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)SC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)SC3=C(C=CC=C3C)C

InChI

InChI=1S/C21H25NO4S/c1-4-25-21(24)16-9-6-12-22(13-16)20(23)17-10-11-18(26-17)27-19-14(2)7-5-8-15(19)3/h5,7-8,10-11,16H,4,6,9,12-13H2,1-3H3