1,3-benzothiazol-2-ylmethyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N2O4S/c1-2-3-10-23-19(24)14-9-8-13(11-15(14)20(23)25)21(26)27-12-18-22-16-6-4-5-7-17(16)28-18/h4-9,11H,2-3,10,12H2,1H3