2-[1-(cyclohexylmethyl)benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(cyclohexylmethyl)benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(cyclohexylmethyl)benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(cyclohexylmethyl)-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-(cyclohexylmethyl)benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(cyclohexylmethyl)benzimidazol-2-yl]thio]acetic acid Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

C1CCC(CC1)CN2C3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C16H20N2O2S/c19-15(20)11-21-16-17-13-8-4-5-9-14(13)18(16)10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,20)