2-(2-phenethylsulfanylbenzimidazol-1-yl)ethanoic acid

Systemtic Name: 2-(2-phenethylsulfanylbenzimidazol-1-yl)ethanoic acid Openeye Name: 2-(2-phenethylsulfanylbenzimidazol-1-yl)acetic acid CAS Name: 2-[2-(phenethylthio)-1-benzimidazolyl]acetic acid IUPAC Name: 2-(2-phenethylsulfanylbenzimidazol-1-yl)acetic acid Traditional Name: 2-[2-(phenethylthio)benzimidazol-1-yl]acetic acid Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=CC=CC=C3N2CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C17H16N2O2S/c20-16(21)12-19-15-9-5-4-8-14(15)18-17(19)22-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,21)