O4-tert-butyl O1-ethyl 4-(3-methylphenyl)sulfanylpiperidine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-ethyl 4-(3-methylphenyl)sulfanylpiperidine-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-ethyl 4-(m-tolylsulfanyl)piperidine-1,4-dicarboxylate CAS Name: 4-[(3-methylphenyl)thio]piperidine-1,4-dicarboxylic acid O4-tert-butyl ester O1-ethyl ester IUPAC Name: 4-O-tert-butyl 1-O-ethyl 4-(3-methylphenyl)sulfanylpiperidine-1,4-dicarboxylate Traditional Name: 4-(m-tolylthio)piperidine-1,4-dicarboxylic acid O4-tert-butyl ester O1-ethyl ester Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)(C(=O)OC(C)(C)C)SC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)(C(=O)OC(C)(C)C)SC2=CC=CC(=C2)C

InChI

InChI=1S/C20H29NO4S/c1-6-24-18(23)21-12-10-20(11-13-21,17(22)25-19(3,4)5)26-16-9-7-8-15(2)14-16/h7-9,14H,6,10-13H2,1-5H3