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

Systemtic Name: sodium 4-(2-butylsulfanylbenzimidazol-1-yl)-4-oxidanylidene-butanoate Openeye Name: sodium 4-(2-butylsulfanylbenzimidazol-1-yl)-4-oxo-butanoate CAS Name: sodium 4-[2-(butylthio)-1-benzimidazolyl]-4-oxobutanoate IUPAC Name: sodium 4-(2-butylsulfanylbenzimidazol-1-yl)-4-oxobutanoate Traditional Name: sodium 4-[2-(butylthio)benzimidazol-1-yl]-4-keto-butyrate Formula: C15H17N2NaO3S MolecularWeight: 328.36185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=CC=CC=C2N1C(=O)CCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCSC1=NC2=CC=CC=C2N1C(=O)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C15H18N2O3S.Na/c1-2-3-10-21-15-16-11-6-4-5-7-12(11)17(15)13(18)8-9-14(19)20;/h4-7H,2-3,8-10H2,1H3,(H,19,20);/q;+1/p-1