O1-tert-butyl O4-ethyl 4-(4-but-2-ynoxyphenyl)sulfanylpiperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-ethyl 4-(4-but-2-ynoxyphenyl)sulfanylpiperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-ethyl 4-(4-but-2-ynoxyphenyl)sulfanylpiperidine-1,4-dicarboxylate CAS Name: 4-[(4-but-2-ynoxyphenyl)thio]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-(4-but-2-ynoxyphenyl)sulfanylpiperidine-1,4-dicarboxylate Traditional Name: 4-[(4-but-2-ynoxyphenyl)thio]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)SC2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)SC2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C23H31NO5S/c1-6-8-17-28-18-9-11-19(12-10-18)30-23(20(25)27-7-2)13-15-24(16-14-23)21(26)29-22(3,4)5/h9-12H,7,13-17H2,1-5H3