methyl 4-[(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]oxybenzoate

Systemtic Name: methyl 4-[(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]oxybenzoate Openeye Name: methyl 4-[(2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoyl]oxybenzoate CAS Name: 4-[(2S)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-1-oxobutoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]oxybenzoate Traditional Name: 4-[(2S)-4-(methylthio)-2-phthalimido-butanoyl]oxybenzoic acid methyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)[C@H](CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H19NO6S/c1-27-20(25)13-7-9-14(10-8-13)28-21(26)17(11-12-29-2)22-18(23)15-5-3-4-6-16(15)19(22)24/h3-10,17H,11-12H2,1-2H3/t17-/m0/s1