2-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(6-methoxy-1,3-benzothiazol-2-yl)isoindoline-5-carboxylate Formula: C17H9N2O5S- MolecularWeight: 353.32876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C17H10N2O5S/c1-24-9-3-5-12-13(7-9)25-17(18-12)19-14(20)10-4-2-8(16(22)23)6-11(10)15(19)21/h2-7H,1H3,(H,22,23)/p-1