ethyl 1-[5-(5-tert-butyl-2-methyl-phenyl)sulfanylfuran-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(5-tert-butyl-2-methyl-phenyl)sulfanylfuran-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(5-tert-butyl-2-methyl-phenyl)sulfanylfuran-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[(5-tert-butyl-2-methylphenyl)thio]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(5-tert-butyl-2-methylphenyl)sulfanylfuran-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-[(5-tert-butyl-2-methyl-phenyl)thio]-2-furoyl]nipecotic acid ethyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)SC3=C(C=CC(=C3)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)SC3=C(C=CC(=C3)C(C)(C)C)C

InChI

InChI=1S/C24H31NO4S/c1-6-28-23(27)17-8-7-13-25(15-17)22(26)19-11-12-21(29-19)30-20-14-18(24(3,4)5)10-9-16(20)2/h9-12,14,17H,6-8,13,15H2,1-5H3