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

Systemtic Name: O1-tert-butyl O4-ethyl 4-(3-phenoxyphenyl)sulfanylpiperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-ethyl 4-(3-phenoxyphenyl)sulfanylpiperidine-1,4-dicarboxylate CAS Name: 4-[(3-phenoxyphenyl)thio]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-(3-phenoxyphenyl)sulfanylpiperidine-1,4-dicarboxylate Traditional Name: 4-[(3-phenoxyphenyl)thio]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)SC2=CC=CC(=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)SC2=CC=CC(=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H31NO5S/c1-5-29-22(27)25(14-16-26(17-15-25)23(28)31-24(2,3)4)32-21-13-9-12-20(18-21)30-19-10-7-6-8-11-19/h6-13,18H,5,14-17H2,1-4H3