methyl (E,2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-but-3-enoate

Systemtic Name: methyl (E,2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-but-3-enoate Openeye Name: methyl (E,2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-but-3-enoate CAS Name: (E,2S)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-3-butenoic acid methyl ester IUPAC Name: methyl (E,2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbut-3-enoate Traditional Name: (E,2S)-4-(methylthio)-2-phthalimido-but-3-enoic acid methyl ester Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=CSC)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)[C@H](/C=C/SC)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H13NO4S/c1-19-14(18)11(7-8-20-2)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-8,11H,1-2H3/b8-7+/t11-/m0/s1