4-(1H-benzimidazol-2-ylsulfanyloxy)-4-oxidanylidene-butanoate; butane

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyloxy)-4-oxidanylidene-butanoate; butane Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyloxy)-4-oxo-butanoate; butane CAS Name: 4-(1H-benzimidazol-2-ylthio)oxy-4-oxobutanoate; butane IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyloxy)-4-oxobutanoate; butane Traditional Name: 4-(1H-benzimidazol-2-ylthio)oxy-4-keto-butyrate; n-butane Formula: C15H19N2O4S- MolecularWeight: 323.38736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC=C2C(=C1)NC(=N2)SOC(=O)CCC(=O)[O-]

Isomeric SMILES

CCCC.C1=CC=C2C(=C1)NC(=N2)SOC(=O)CCC(=O)[O-]

InChI

InChI=1S/C11H10N2O4S.C4H10/c14-9(15)5-6-10(16)17-18-11-12-7-3-1-2-4-8(7)13-11;1-3-4-2/h1-4H,5-6H2,(H,12,13)(H,14,15);3-4H2,1-2H3/p-1