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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1,2-dimethyl-butane-1,2,3-tricarboxylic acid Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1,2-dimethyl-butane-1,2,3-tricarboxylic acid CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1,2-dimethylbutane-1,2,3-tricarboxylic acid IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1,2-dimethylbutane-1,2,3-tricarboxylic acid Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1,2-dimethyl-butane-1,2,3-tricarboxylic acid Formula: C16H17NO6S2 MolecularWeight: 383.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C(C)(C(CSC1=NC2=CC=CC=C2S1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C(=O)O)C(C)(C(CSC1=NC2=CC=CC=C2S1)C(=O)O)C(=O)O

InChI

InChI=1S/C16H17NO6S2/c1-8(12(18)19)16(2,14(22)23)9(13(20)21)7-24-15-17-10-5-3-4-6-11(10)25-15/h3-6,8-9H,7H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)