(4-methylsulfanylphenyl)methyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid [4-(methylthio)benzyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H21NO5S/c1-26-11-3-10-22-19(23)17-9-6-15(12-18(17)20(22)24)21(25)27-13-14-4-7-16(28-2)8-5-14/h4-9,12H,3,10-11,13H2,1-2H3