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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H18N2O5S/c1-2-3-8-23-19(24)15-7-6-13(10-16(15)20(23)25)21(26)28-12-14-11-27-18(22-14)17-5-4-9-29-17/h4-7,9-11H,2-3,8,12H2,1H3