2-(3H-benzo[e]benzimidazol-2-ylsulfanyl)ethanoic acid

Systemtic Name: 2-(3H-benzo[e]benzimidazol-2-ylsulfanyl)ethanoic acid Openeye Name: 2-(3H-benzo[e]benzimidazol-2-ylsulfanyl)acetic acid CAS Name: 2-(3H-benzo[e]benzimidazol-2-ylthio)acetic acid IUPAC Name: 2-(3H-benzo[e]benzimidazol-2-ylsulfanyl)acetic acid Traditional Name: 2-(3H-benzo[e]benzimidazol-2-ylthio)acetic acid Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(N3)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(N3)SCC(=O)O

InChI

InChI=1S/C13H10N2O2S/c16-11(17)7-18-13-14-10-6-5-8-3-1-2-4-9(8)12(10)15-13/h1-6H,7H2,(H,14,15)(H,16,17)