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

Systemtic Name: 2-(3H-1,2-benzothiazol-2-yl)butanedioic acid Openeye Name: 2-(3H-1,2-benzothiazol-2-yl)butanedioic acid CAS Name: 2-(3H-1,2-benzothiazol-2-yl)butanedioic acid IUPAC Name: 2-(3H-1,2-benzothiazol-2-yl)butanedioic acid Traditional Name: 2-(3H-1,2-benzothiazol-2-yl)succinic acid Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SN1C(CC(=O)O)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2SN1C(CC(=O)O)C(=O)O

InChI

InChI=1S/C11H11NO4S/c13-10(14)5-8(11(15)16)12-6-7-3-1-2-4-9(7)17-12/h1-4,8H,5-6H2,(H,13,14)(H,15,16)