2-(1H-benzimidazol-2-ylsulfanyl)-2,3-dimethyl-butanedioic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-2,3-dimethyl-butanedioic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-2,3-dimethyl-butanedioic acid CAS Name: 2-(1H-benzimidazol-2-ylthio)-2,3-dimethylbutanedioic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-2,3-dimethylbutanedioic acid Traditional Name: 2-(1H-benzimidazol-2-ylthio)-2,3-dimethyl-succinic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C(C)(C(=O)O)SC1=NC2=CC=CC=C2N1

Isomeric SMILES

CC(C(=O)O)C(C)(C(=O)O)SC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C13H14N2O4S/c1-7(10(16)17)13(2,11(18)19)20-12-14-8-5-3-4-6-9(8)15-12/h3-7H,1-2H3,(H,14,15)(H,16,17)(H,18,19)