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

Systemtic Name: (2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylbutanoate Openeye Name: (2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylbutanoate CAS Name: (2R)-2-[(1-ethyl-2-benzimidazolyl)thio]butanoate IUPAC Name: (2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylbutanoate Traditional Name: (2R)-2-[(1-ethylbenzimidazol-2-yl)thio]butyrate Formula: C13H15N2O2S- MolecularWeight: 263.3354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC2=CC=CC=C2N1CC

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC2=CC=CC=C2N1CC

InChI

InChI=1S/C13H16N2O2S/c1-3-11(12(16)17)18-13-14-9-7-5-6-8-10(9)15(13)4-2/h5-8,11H,3-4H2,1-2H3,(H,16,17)/p-1/t11-/m1/s1