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

Systemtic Name: ethyl 1-[5-[(5-tert-butyl-2-methyl-phenyl)sulfanylmethyl]furan-2-yl]carbonylpiperidine-2-carboxylate Openeye Name: ethyl 1-[5-[(5-tert-butyl-2-methyl-phenyl)sulfanylmethyl]furan-2-carbonyl]piperidine-2-carboxylate CAS Name: 1-[[5-[[(5-tert-butyl-2-methylphenyl)thio]methyl]-2-furanyl]-oxomethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(5-tert-butyl-2-methylphenyl)sulfanylmethyl]furan-2-carbonyl]piperidine-2-carboxylate Traditional Name: 1-[5-[[(5-tert-butyl-2-methyl-phenyl)thio]methyl]-2-furoyl]pipecolinic acid ethyl ester Formula: C25H33NO4S MolecularWeight: 443.59882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)C2=CC=C(O2)CSC3=C(C=CC(=C3)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1CCCCN1C(=O)C2=CC=C(O2)CSC3=C(C=CC(=C3)C(C)(C)C)C

InChI

InChI=1S/C25H33NO4S/c1-6-29-24(28)20-9-7-8-14-26(20)23(27)21-13-12-19(30-21)16-31-22-15-18(25(3,4)5)11-10-17(22)2/h10-13,15,20H,6-9,14,16H2,1-5H3