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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid 4-phthalimidobutyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N2O5S/c24-18-12-29-17-8-7-13(11-16(17)22-18)21(27)28-10-4-3-9-23-19(25)14-5-1-2-6-15(14)20(23)26/h1-2,5-8,11H,3-4,9-10,12H2,(H,22,24)