tert-butyl [3-[(4-methylsulfanylphenyl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidin-1-yl] carbonate

Systemtic Name: tert-butyl [3-[(4-methylsulfanylphenyl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidin-1-yl] carbonate Openeye Name: [4-(4-allyloxyphenyl)-3-[(4-methylsulfanylphenyl)methoxy]-1-piperidyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-[[4-(methylthio)phenyl]methoxy]-4-(4-prop-2-enoxyphenyl)-1-piperidinyl] ester IUPAC Name: tert-butyl [3-[(4-methylsulfanylphenyl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidin-1-yl] carbonate Traditional Name: carbonic acid [4-(4-allyloxyphenyl)-3-[4-(methylthio)benzyl]oxy-piperidino] tert-butyl ester Formula: C27H35NO5S MolecularWeight: 485.6355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)ON1CCC(C(C1)OCC2=CC=C(C=C2)SC)C3=CC=C(C=C3)OCC=C

Isomeric SMILES

CC(C)(C)OC(=O)ON1CCC(C(C1)OCC2=CC=C(C=C2)SC)C3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C27H35NO5S/c1-6-17-30-22-11-9-21(10-12-22)24-15-16-28(33-26(29)32-27(2,3)4)18-25(24)31-19-20-7-13-23(34-5)14-8-20/h6-14,24-25H,1,15-19H2,2-5H3