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

Systemtic Name: propan-2-yl 4-[2-[(6R)-2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]ethylsulfanyl]butanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C24H35NO4S MolecularWeight: 433.604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO4S/c1-19(2)29-24(28)12-7-16-30-17-15-25-21(10-6-11-23(25)27)13-14-22(26)18-20-8-4-3-5-9-20/h3-5,8-9,13-14,19,21-22,26H,6-7,10-12,15-18H2,1-2H3/b14-13+/t21-,22?/m1/s1