3-(2-cyclohexylsulfanylbenzimidazol-1-yl)propanoic acid

Systemtic Name: 3-(2-cyclohexylsulfanylbenzimidazol-1-yl)propanoic acid Openeye Name: 3-(2-cyclohexylsulfanylbenzimidazol-1-yl)propanoic acid CAS Name: 3-[2-(cyclohexylthio)-1-benzimidazolyl]propanoic acid IUPAC Name: 3-(2-cyclohexylsulfanylbenzimidazol-1-yl)propanoic acid Traditional Name: 3-[2-(cyclohexylthio)benzimidazol-1-yl]propionic acid Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NC3=CC=CC=C3N2CCC(=O)O

Isomeric SMILES

C1CCC(CC1)SC2=NC3=CC=CC=C3N2CCC(=O)O

InChI

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