6-(1H-benzimidazol-2-ylsulfanyl)hexyl 3-oxidanylidenebutanoate

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfanyl)hexyl 3-oxidanylidenebutanoate Openeye Name: 6-(1H-benzimidazol-2-ylsulfanyl)hexyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 6-(1H-benzimidazol-2-ylthio)hexyl ester IUPAC Name: 6-(1H-benzimidazol-2-ylsulfanyl)hexyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 6-(1H-benzimidazol-2-ylthio)hexyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCCCCCSC1=NC2=CC=CC=C2N1

Isomeric SMILES

CC(=O)CC(=O)OCCCCCCSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C17H22N2O3S/c1-13(20)12-16(21)22-10-6-2-3-7-11-23-17-18-14-8-4-5-9-15(14)19-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,19)