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

Systemtic Name: ethyl 4-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-(methylthio)-2-phthalimido-butanoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H27N3O5S/c1-3-29-21(28)23-11-8-14(9-12-23)22-18(25)17(10-13-30-2)24-19(26)15-6-4-5-7-16(15)20(24)27/h4-7,14,17H,3,8-13H2,1-2H3,(H,22,25)