2-(4-sulfanylidene-5H-1,3-benzothiazol-2-yl)butanedioic acid

Systemtic Name: 2-(4-sulfanylidene-5H-1,3-benzothiazol-2-yl)butanedioic acid Openeye Name: 2-(4-thioxo-5H-1,3-benzothiazol-2-yl)butanedioic acid CAS Name: 2-(4-sulfanylidene-5H-1,3-benzothiazol-2-yl)butanedioic acid IUPAC Name: 2-(4-sulfanylidene-5H-1,3-benzothiazol-2-yl)butanedioic acid Traditional Name: 2-(4-thioxo-5H-1,3-benzothiazol-2-yl)succinic acid Formula: C11H9NO4S2 MolecularWeight: 283.32346

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=C(C1=S)N=C(S2)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1C=CC2=C(C1=S)N=C(S2)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C11H9NO4S2/c13-8(14)4-5(11(15)16)10-12-9-6(17)2-1-3-7(9)18-10/h1,3,5H,2,4H2,(H,13,14)(H,15,16)