4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1,3-benzothiazole-6-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid 4-phthalimidobutyl ester Formula: C20H16N2O4S MolecularWeight: 380.41704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H16N2O4S/c23-18-14-5-1-2-6-15(14)19(24)22(18)9-3-4-10-26-20(25)13-7-8-16-17(11-13)27-12-21-16/h1-2,5-8,11-12H,3-4,9-10H2