2-(1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-yl)butanedioic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-yl)butanedioic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-yl)butanedioic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-yl)butanedioic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-yl)butanedioic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-piazthiol-5-yl-succinic acid Formula: C17H12N2O6S MolecularWeight: 372.35198

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(C3=CC4=NSN=C4C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(C3=CC4=NSN=C4C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H12N2O6S/c20-16(21)14(8-1-3-10-11(5-8)19-26-18-10)15(17(22)23)9-2-4-12-13(6-9)25-7-24-12/h1-6,14-15H,7H2,(H,20,21)(H,22,23)