2-[(4-chloranyl-1,3-benzothiazol-2-yl)amino]-1,3-bis(oxidanylidene)isoindole-5,6-dicarboxylate

Systemtic Name: 2-[(4-chloranyl-1,3-benzothiazol-2-yl)amino]-1,3-bis(oxidanylidene)isoindole-5,6-dicarboxylate Openeye Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)amino]-1,3-dioxo-isoindoline-5,6-dicarboxylate CAS Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)amino]-1,3-dioxoisoindole-5,6-dicarboxylate IUPAC Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)amino]-1,3-dioxoisoindole-5,6-dicarboxylate Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)amino]-1,3-diketo-isoindoline-5,6-dicarboxylate Formula: C17H6ClN3O6S-2 MolecularWeight: 415.76404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N=C(S2)NN3C(=O)C4=CC(=C(C=C4C3=O)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N=C(S2)NN3C(=O)C4=CC(=C(C=C4C3=O)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H8ClN3O6S/c18-10-2-1-3-11-12(10)19-17(28-11)20-21-13(22)6-4-8(15(24)25)9(16(26)27)5-7(6)14(21)23/h1-5H,(H,19,20)(H,24,25)(H,26,27)/p-2