3-(2-cyclohexylsulfanylbenzimidazol-1-yl)propanoate

Systemtic Name: 3-(2-cyclohexylsulfanylbenzimidazol-1-yl)propanoate Openeye Name: 3-(2-cyclohexylsulfanylbenzimidazol-1-yl)propanoate CAS Name: 3-[2-(cyclohexylthio)-1-benzimidazolyl]propanoate IUPAC Name: 3-(2-cyclohexylsulfanylbenzimidazol-1-yl)propanoate Traditional Name: 3-[2-(cyclohexylthio)benzimidazol-1-yl]propionate Formula: C16H19N2O2S- MolecularWeight: 303.39926

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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)/p-1