methyl 2-[[2-cyclopropyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-cyclopropyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(2-cyclopropyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-cyclopropyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(2-cyclopropyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-cyclopropyl-1,3-diketo-isoindoline-5-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3CC3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3CC3

InChI

InChI=1S/C18H20N2O5S/c1-25-18(24)14(7-8-26-2)19-15(21)10-3-6-12-13(9-10)17(23)20(16(12)22)11-4-5-11/h3,6,9,11,14H,4-5,7-8H2,1-2H3,(H,19,21)