4-(1,3-benzothiazol-2-ylsulfanyl)-2,2-dimethyl-pentanedioic acid

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-2,2-dimethyl-pentanedioic acid Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-2,2-dimethyl-pentanedioic acid CAS Name: 4-(1,3-benzothiazol-2-ylthio)-2,2-dimethylpentanedioic acid IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-2,2-dimethylpentanedioic acid Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-2,2-dimethyl-glutaric acid Formula: C14H15NO4S2 MolecularWeight: 325.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)O)SC1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

CC(C)(CC(C(=O)O)SC1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C14H15NO4S2/c1-14(2,12(18)19)7-10(11(16)17)21-13-15-8-5-3-4-6-9(8)20-13/h3-6,10H,7H2,1-2H3,(H,16,17)(H,18,19)