ethyl 1-[(2R)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2R)-3-benzylsulfanyl-2-(1-oxoisoindolin-2-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-1-oxo-2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethylthio)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-3-benzylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2R)-3-(benzylthio)-2-(1-ketoisoindolin-2-yl)propanoyl]isonipecotic acid ethyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CSCC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](CSCC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H30N2O4S/c1-2-32-26(31)20-12-14-27(15-13-20)25(30)23(18-33-17-19-8-4-3-5-9-19)28-16-21-10-6-7-11-22(21)24(28)29/h3-11,20,23H,2,12-18H2,1H3/t23-/m0/s1