4-(1H-benzimidazol-2-ylsulfanyloxy)-4-oxidanylidene-butanoate; 1,1'-biphenyl

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyloxy)-4-oxidanylidene-butanoate; 1,1'-biphenyl Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyloxy)-4-oxo-butanoate; biphenyl CAS Name: 4-(1H-benzimidazol-2-ylthio)oxy-4-oxobutanoate; 1,1'-biphenyl IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyloxy)-4-oxobutanoate; 1,1'-biphenyl Traditional Name: 4-(1H-benzimidazol-2-ylthio)oxy-4-keto-butyrate; biphenyl Formula: C23H19N2O4S- MolecularWeight: 419.47296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C2C(=C1)NC(=N2)SOC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C2C(=C1)NC(=N2)SOC(=O)CCC(=O)[O-]

InChI

InChI=1S/C12H10.C11H10N2O4S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;14-9(15)5-6-10(16)17-18-11-12-7-3-1-2-4-8(7)13-11/h1-10H;1-4H,5-6H2,(H,12,13)(H,14,15)/p-1