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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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