(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolecarboxylic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carboxylic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=COC(=N4)C5=CC=CS5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=COC(=N4)C5=CC=CS5

InChI

InChI=1S/C22H18N2O6S/c25-20-16-6-5-13(9-17(16)21(26)24(20)10-15-3-1-7-28-15)22(27)30-12-14-11-29-19(23-14)18-4-2-8-31-18/h2,4-6,8-9,11,15H,1,3,7,10,12H2