sodium 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxidanylidene-butanoate

Systemtic Name: sodium 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxidanylidene-butanoate Openeye Name: sodium 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxo-butanoate CAS Name: sodium 3-[(1H-benzimidazol-2-ylthio)methyl]-4-ethoxy-4-oxobutanoate IUPAC Name: sodium 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxobutanoate Traditional Name: sodium 3-[(1H-benzimidazol-2-ylthio)methyl]-4-ethoxy-4-keto-butyrate Formula: C14H15N2NaO4S MolecularWeight: 330.33467

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)[O-])CSC1=NC2=CC=CC=C2N1.[Na+]

Isomeric SMILES

CCOC(=O)C(CC(=O)[O-])CSC1=NC2=CC=CC=C2N1.[Na+]

InChI

InChI=1S/C14H16N2O4S.Na/c1-2-20-13(19)9(7-12(17)18)8-21-14-15-10-5-3-4-6-11(10)16-14;/h3-6,9H,2,7-8H2,1H3,(H,15,16)(H,17,18);/q;+1/p-1