2-(1-ethylbenzimidazol-2-yl)sulfanyl-3-methyl-butanoic acid

Systemtic Name: 2-(1-ethylbenzimidazol-2-yl)sulfanyl-3-methyl-butanoic acid Openeye Name: 2-(1-ethylbenzimidazol-2-yl)sulfanyl-3-methyl-butanoic acid CAS Name: 2-[(1-ethyl-2-benzimidazolyl)thio]-3-methylbutanoic acid IUPAC Name: 2-(1-ethylbenzimidazol-2-yl)sulfanyl-3-methylbutanoic acid Traditional Name: 2-[(1-ethylbenzimidazol-2-yl)thio]-3-methyl-butyric acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SC(C(C)C)C(=O)O

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SC(C(C)C)C(=O)O

InChI

InChI=1S/C14H18N2O2S/c1-4-16-11-8-6-5-7-10(11)15-14(16)19-12(9(2)3)13(17)18/h5-9,12H,4H2,1-3H3,(H,17,18)