tert-butyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: tert-butyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: tert-butyl 2-(tert-butoxycarbonylamino)-3-(1,3-dioxoisoindolin-2-yl)sulfanyl-propanoate CAS Name: 3-[(1,3-dioxo-2-isoindolyl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1,3-dioxoisoindol-2-yl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(phthalimidothio)propionic acid tert-butyl ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CSN1C(=O)C2=CC=CC=C2C1=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CSN1C(=O)C2=CC=CC=C2C1=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H26N2O6S/c1-19(2,3)27-17(25)14(21-18(26)28-20(4,5)6)11-29-22-15(23)12-9-7-8-10-13(12)16(22)24/h7-10,14H,11H2,1-6H3,(H,21,26)