(2R)-2-(1-methylbenzimidazol-2-yl)sulfanylbutanoate

Systemtic Name: (2R)-2-(1-methylbenzimidazol-2-yl)sulfanylbutanoate Openeye Name: (2R)-2-(1-methylbenzimidazol-2-yl)sulfanylbutanoate CAS Name: (2R)-2-[(1-methyl-2-benzimidazolyl)thio]butanoate IUPAC Name: (2R)-2-(1-methylbenzimidazol-2-yl)sulfanylbutanoate Traditional Name: (2R)-2-[(1-methylbenzimidazol-2-yl)thio]butyrate Formula: C12H13N2O2S- MolecularWeight: 249.30882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC2=CC=CC=C2N1C

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC2=CC=CC=C2N1C

InChI

InChI=1S/C12H14N2O2S/c1-3-10(11(15)16)17-12-13-8-6-4-5-7-9(8)14(12)2/h4-7,10H,3H2,1-2H3,(H,15,16)/p-1/t10-/m1/s1