methyl 2-[[1-(2-methoxycarbonylphenyl)sulfanyl-3-oxidanylidene-1H-isoindol-2-yl]methylsulfanyl]benzoate

Systemtic Name: methyl 2-[[1-(2-methoxycarbonylphenyl)sulfanyl-3-oxidanylidene-1H-isoindol-2-yl]methylsulfanyl]benzoate Openeye Name: methyl 2-[[1-(2-methoxycarbonylphenyl)sulfanyl-3-oxo-isoindolin-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[1-[(2-methoxycarbonylphenyl)thio]-3-oxo-1H-isoindol-2-yl]methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(2-methoxycarbonylphenyl)sulfanyl-3-oxo-1H-isoindol-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[1-[(2-carbomethoxyphenyl)thio]-3-keto-isoindolin-2-yl]methylthio]benzoic acid methyl ester Formula: C25H21NO5S2 MolecularWeight: 479.56794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCN2C(C3=CC=CC=C3C2=O)SC4=CC=CC=C4C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCN2C(C3=CC=CC=C3C2=O)SC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H21NO5S2/c1-30-24(28)18-11-5-7-13-20(18)32-15-26-22(27)16-9-3-4-10-17(16)23(26)33-21-14-8-6-12-19(21)25(29)31-2/h3-14,23H,15H2,1-2H3