ethyl 1-[(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-4-(methylthio)-2-phthalimido-butanoyl]isonipecotic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H26N2O5S/c1-3-28-21(27)14-8-11-22(12-9-14)20(26)17(10-13-29-2)23-18(24)15-6-4-5-7-16(15)19(23)25/h4-7,14,17H,3,8-13H2,1-2H3/t17-/m0/s1