2-[1-ethyl-2-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)benzimidazol-5-yl]ethanoic acid

Systemtic Name: 2-[1-ethyl-2-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)benzimidazol-5-yl]ethanoic acid Openeye Name: 2-[1-ethyl-2-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)benzimidazol-5-yl]acetic acid CAS Name: 2-[1-ethyl-2-(5,6,7,8-tetrahydroquinolin-8-ylthio)-5-benzimidazolyl]acetic acid IUPAC Name: 2-[1-ethyl-2-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)benzimidazol-5-yl]acetic acid Traditional Name: 2-[1-ethyl-2-(5,6,7,8-tetrahydroquinolin-8-ylthio)benzimidazol-5-yl]acetic acid Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CC(=O)O)N=C1SC3CCCC4=C3N=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CC(=O)O)N=C1SC3CCCC4=C3N=CC=C4

InChI

InChI=1S/C20H21N3O2S/c1-2-23-16-9-8-13(12-18(24)25)11-15(16)22-20(23)26-17-7-3-5-14-6-4-10-21-19(14)17/h4,6,8-11,17H,2-3,5,7,12H2,1H3,(H,24,25)