2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-(1-carboxypropylsulfanyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[(1-hydroxy-1-oxobutan-2-yl)thio]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-(1-hydroxy-1-oxobutan-2-yl)sulfanyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-(1-carboxypropylthio)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid Formula: C12H15NO4S2 MolecularWeight: 301.3818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC2=C(S1)CC(CC2)C(=O)O

Isomeric SMILES

CCC(C(=O)O)SC1=NC2=C(S1)CC(CC2)C(=O)O

InChI

InChI=1S/C12H15NO4S2/c1-2-8(11(16)17)18-12-13-7-4-3-6(10(14)15)5-9(7)19-12/h6,8H,2-5H2,1H3,(H,14,15)(H,16,17)