2-[2-[[(3R)-1-butanoylpiperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[(3R)-1-butanoylpiperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[[(3R)-1-butanoyl-3-piperidyl]methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[(3R)-1-(1-oxobutyl)-3-piperidinyl]methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[[(3R)-1-butanoylpiperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[[(3R)-1-butyryl-3-piperidyl]methylthio]benzimidazol-1-yl]acetic acid Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCCC(C1)CSC2=NC3=CC=CC=C3N2CC(=O)O

Isomeric SMILES

CCCC(=O)N1CCC[C@H](C1)CSC2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C19H25N3O3S/c1-2-6-17(23)21-10-5-7-14(11-21)13-26-19-20-15-8-3-4-9-16(15)22(19)12-18(24)25/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,24,25)/t14-/m1/s1