(2S)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid

Systemtic Name: (2S)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid Openeye Name: (2S)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid CAS Name: (2S)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]propanoic acid IUPAC Name: (2S)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid Traditional Name: (2S)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]propionic acid Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SC(C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)S[C@@H](C)C(=O)O

InChI

InChI=1S/C12H14N2O2S/c1-6-4-9-10(5-7(6)2)14-12(13-9)17-8(3)11(15)16/h4-5,8H,1-3H3,(H,13,14)(H,15,16)/t8-/m0/s1