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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)C2=CC=C(O2)SC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1CCCCN1C(=O)C2=CC=C(O2)SC3=C(C=CC=C3C)C

InChI

InChI=1S/C21H25NO4S/c1-4-25-21(24)16-10-5-6-13-22(16)20(23)17-11-12-18(26-17)27-19-14(2)8-7-9-15(19)3/h7-9,11-12,16H,4-6,10,13H2,1-3H3