2-(1,3-benzothiazol-2-yl)butanedioic acid

Systemtic Name: 2-(1,3-benzothiazol-2-yl)butanedioic acid Openeye Name: 2-(1,3-benzothiazol-2-yl)butanedioic acid CAS Name: 2-(1,3-benzothiazol-2-yl)butanedioic acid IUPAC Name: 2-(1,3-benzothiazol-2-yl)butanedioic acid Traditional Name: 2-(1,3-benzothiazol-2-yl)succinic acid Formula: C11H9NO4S MolecularWeight: 251.25846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C11H9NO4S/c13-9(14)5-6(11(15)16)10-12-7-3-1-2-4-8(7)17-10/h1-4,6H,5H2,(H,13,14)(H,15,16)