(2S)-2-(1H-benzimidazol-2-ylsulfanyl)pentanoic acid

Systemtic Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)pentanoic acid Openeye Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)pentanoic acid CAS Name: (2S)-2-(1H-benzimidazol-2-ylthio)pentanoic acid IUPAC Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)pentanoic acid Traditional Name: (2S)-2-(1H-benzimidazol-2-ylthio)valeric acid Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=NC2=CC=CC=C2N1

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2S/c1-2-5-10(11(15)16)17-12-13-8-6-3-4-7-9(8)14-12/h3-4,6-7,10H,2,5H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1