2-(6-ethoxycarbonyl-1H-benzimidazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-(6-ethoxycarbonyl-1H-benzimidazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(6-ethoxycarbonyl-1H-benzimidazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-(6-ethoxycarbonyl-1H-benzimidazol-2-yl)-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-(6-ethoxycarbonyl-1H-benzimidazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(6-carbethoxy-1H-benzimidazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)C(CC(=O)S)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C14H14N2O5S/c1-2-21-14(20)7-3-4-9-10(5-7)16-12(15-9)8(13(18)19)6-11(17)22/h3-5,8H,2,6H2,1H3,(H,15,16)(H,17,22)(H,18,19)