sodium 4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxidanylidene-butanoate Openeye Name: sodium 4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxo-butanoate CAS Name: sodium 4-[2-(ethylthio)-1-benzimidazolyl]-4-oxobutanoate IUPAC Name: sodium 4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxobutanoate Traditional Name: sodium 4-[2-(ethylthio)benzimidazol-1-yl]-4-keto-butyrate Formula: C13H13N2NaO3S MolecularWeight: 300.30869

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2N1C(=O)CCC(=O)[O-].[Na+]

Isomeric SMILES

CCSC1=NC2=CC=CC=C2N1C(=O)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C13H14N2O3S.Na/c1-2-19-13-14-9-5-3-4-6-10(9)15(13)11(16)7-8-12(17)18;/h3-6H,2,7-8H2,1H3,(H,17,18);/q;+1/p-1