(2R)-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylpropanoate

Systemtic Name: (2R)-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylpropanoate Openeye Name: (2R)-2-(1-benzylbenzimidazol-2-yl)sulfanylpropanoate CAS Name: (2R)-2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]propanoate IUPAC Name: (2R)-2-(1-benzylbenzimidazol-2-yl)sulfanylpropanoate Traditional Name: (2R)-2-[(1-benzylbenzimidazol-2-yl)thio]propionate Formula: C17H15N2O2S- MolecularWeight: 311.3782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC2=CC=CC=C2N1CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=NC2=CC=CC=C2N1CC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O2S/c1-12(16(20)21)22-17-18-14-9-5-6-10-15(14)19(17)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,20,21)/p-1/t12-/m1/s1