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

Systemtic Name: 2-(2-carboxyethylsulfanyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-(2-carboxyethylsulfanyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-(2-carboxyethylthio)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-(2-carboxyethylsulfanyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-(2-carboxyethylthio)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid Formula: C11H13NO4S2 MolecularWeight: 287.35522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S2/c13-9(14)3-4-17-11-12-7-2-1-6(10(15)16)5-8(7)18-11/h6H,1-5H2,(H,13,14)(H,15,16)