(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-butanoate

Systemtic Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-butanoate Openeye Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-butanoate CAS Name: (2R)-2-(1H-benzimidazol-2-ylthio)-3-methylbutanoate IUPAC Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-3-methylbutanoate Traditional Name: (2R)-2-(1H-benzimidazol-2-ylthio)-3-methyl-butyrate Formula: C12H13N2O2S- MolecularWeight: 249.30882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])SC1=NC2=CC=CC=C2N1

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])SC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C12H14N2O2S/c1-7(2)10(11(15)16)17-12-13-8-5-3-4-6-9(8)14-12/h3-7,10H,1-2H3,(H,13,14)(H,15,16)/p-1/t10-/m1/s1