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

Systemtic Name: methyl (2S)-2-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-allyl-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)CC=C

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C

InChI

InChI=1S/C18H20N2O5S/c1-4-8-20-16(22)12-6-5-11(10-13(12)17(20)23)15(21)19-14(7-9-26-3)18(24)25-2/h4-6,10,14H,1,7-9H2,2-3H3,(H,19,21)/t14-/m0/s1