2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid 2-phthalimidoethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N2O4S/c24-19(11-5-10-18-22-16-8-3-4-9-17(16)28-18)27-13-12-23-20(25)14-6-1-2-7-15(14)21(23)26/h1-4,6-9H,5,10-13H2