2-[2-(carboxymethylsulfanyl)-2H-1,3-benzothiazol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(carboxymethylsulfanyl)-2H-1,3-benzothiazol-3-yl]ethanoic acid Openeye Name: 2-[2-(carboxymethylsulfanyl)-2H-1,3-benzothiazol-3-yl]acetic acid CAS Name: 2-[2-(carboxymethylthio)-2H-1,3-benzothiazol-3-yl]acetic acid IUPAC Name: 2-[2-(carboxymethylsulfanyl)-2H-1,3-benzothiazol-3-yl]acetic acid Traditional Name: 2-[2-(carboxymethylthio)-2H-1,3-benzothiazol-3-yl]acetic acid Formula: C11H11NO4S2 MolecularWeight: 285.33934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4S2/c13-9(14)5-12-7-3-1-2-4-8(7)18-11(12)17-6-10(15)16/h1-4,11H,5-6H2,(H,13,14)(H,15,16)