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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)butanedioic acid Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)butanedioic acid CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)butanedioic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)butanedioic acid Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)succinic acid Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO4S/c14-11(15)6-7(12(16)17)5-10-13-8-3-1-2-4-9(8)18-10/h1-4,7H,5-6H2,(H,14,15)(H,16,17)