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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N2O5S/c1-27-10-4-9-23-19(24)14-8-7-13(11-15(14)20(23)25)21(26)28-12-18-22-16-5-2-3-6-17(16)29-18/h2-3,5-8,11H,4,9-10,12H2,1H3