methyl 4-[2-[(6R)-2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]ethylsulfanyl]butanoate

Systemtic Name: methyl 4-[2-[(6R)-2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]ethylsulfanyl]butanoate Openeye Name: methyl 4-[2-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-oxo-1-piperidyl]ethylsulfanyl]butanoate CAS Name: 4-[2-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxo-1-piperidinyl]ethylthio]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]ethylsulfanyl]butanoate Traditional Name: 4-[2-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-keto-piperidino]ethylthio]butyric acid methyl ester Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSCCN1C(CCCC1=O)C=CC(CC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CCCSCCN1[C@H](CCCC1=O)/C=C/C(CC2=CC=CC=C2)O

InChI

InChI=1S/C22H31NO4S/c1-27-22(26)11-6-15-28-16-14-23-19(9-5-10-21(23)25)12-13-20(24)17-18-7-3-2-4-8-18/h2-4,7-8,12-13,19-20,24H,5-6,9-11,14-17H2,1H3/b13-12+/t19-,20?/m1/s1