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

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(furan-2-ylmethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(2-furylmethyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-furanylmethyl)-1,3-dioxo-5-isoindolecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2-furfuryl)-1,3-diketo-isoindoline-5-carboxylic acid [4-(methylthio)benzyl] ester Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4

InChI

InChI=1S/C22H17NO5S/c1-29-17-7-4-14(5-8-17)13-28-22(26)15-6-9-18-19(11-15)21(25)23(20(18)24)12-16-3-2-10-27-16/h2-11H,12-13H2,1H3