methyl 3-(1H-benzimidazol-2-ylsulfanyl)butanoate

Systemtic Name: methyl 3-(1H-benzimidazol-2-ylsulfanyl)butanoate Openeye Name: methyl 3-(1H-benzimidazol-2-ylsulfanyl)butanoate CAS Name: 3-(1H-benzimidazol-2-ylthio)butanoic acid methyl ester IUPAC Name: methyl 3-(1H-benzimidazol-2-ylsulfanyl)butanoate Traditional Name: 3-(1H-benzimidazol-2-ylthio)butyric acid methyl ester Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)SC1=NC2=CC=CC=C2N1

Isomeric SMILES

CC(CC(=O)OC)SC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C12H14N2O2S/c1-8(7-11(15)16-2)17-12-13-9-5-3-4-6-10(9)14-12/h3-6,8H,7H2,1-2H3,(H,13,14)