O1-tert-butyl O4-ethyl 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfanylmethyl]piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-ethyl 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfanylmethyl]piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-ethyl 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfanylmethyl]piperidine-1,4-dicarboxylate CAS Name: 4-[[[4-(3,4-dimethylphenoxy)phenyl]thio]methyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfanylmethyl]piperidine-1,4-dicarboxylate Traditional Name: 4-[[[4-(3,4-dimethylphenoxy)phenyl]thio]methyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester Formula: C28H37NO5S MolecularWeight: 499.66208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CSC2=CC=C(C=C2)OC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CSC2=CC=C(C=C2)OC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C28H37NO5S/c1-7-32-25(30)28(14-16-29(17-15-28)26(31)34-27(4,5)6)19-35-24-12-10-22(11-13-24)33-23-9-8-20(2)21(3)18-23/h8-13,18H,7,14-17,19H2,1-6H3