4-[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-isopentylsulfanylbenzimidazol-1-yl)-4-oxo-butanoic acid CAS Name: 4-[2-(3-methylbutylthio)-1-benzimidazolyl]-4-oxobutanoic acid IUPAC Name: 4-[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]-4-oxobutanoic acid Traditional Name: 4-[2-(isoamylthio)benzimidazol-1-yl]-4-keto-butyric acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=CC=CC=C2N1C(=O)CCC(=O)O

Isomeric SMILES

CC(C)CCSC1=NC2=CC=CC=C2N1C(=O)CCC(=O)O

InChI

InChI=1S/C16H20N2O3S/c1-11(2)9-10-22-16-17-12-5-3-4-6-13(12)18(16)14(19)7-8-15(20)21/h3-6,11H,7-10H2,1-2H3,(H,20,21)