2-(carboxymethylsulfanyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-(carboxymethylsulfanyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-(carboxymethylthio)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-(carboxymethylthio)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid Formula: C10H11NO4S2 MolecularWeight: 273.32864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)O)SC(=N2)SCC(=O)O

Isomeric SMILES

C1CC2=C(CC1C(=O)O)SC(=N2)SCC(=O)O

InChI

InChI=1S/C10H11NO4S2/c12-8(13)4-16-10-11-6-2-1-5(9(14)15)3-7(6)17-10/h5H,1-4H2,(H,12,13)(H,14,15)