2-[(5,6-diethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5,6-diethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5,6-diethoxy-1H-benzimidazol-2-yl)sulfanyl]acetic acid CAS Name: 2-[(5,6-diethoxy-1H-benzimidazol-2-yl)thio]acetic acid IUPAC Name: 2-[(5,6-diethoxy-1H-benzimidazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5,6-diethoxy-1H-benzimidazol-2-yl)thio]acetic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)NC(=N2)SCC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)NC(=N2)SCC(=O)O)OCC

InChI

InChI=1S/C13H16N2O4S/c1-3-18-10-5-8-9(6-11(10)19-4-2)15-13(14-8)20-7-12(16)17/h5-6H,3-4,7H2,1-2H3,(H,14,15)(H,16,17)