2-[4-[4-(1H-benzimidazol-2-ylsulfanyl)butoxy]phenyl]ethanoic acid

Systemtic Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanyl)butoxy]phenyl]ethanoic acid Openeye Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanyl)butoxy]phenyl]acetic acid CAS Name: 2-[4-[4-(1H-benzimidazol-2-ylthio)butoxy]phenyl]acetic acid IUPAC Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanyl)butoxy]phenyl]acetic acid Traditional Name: 2-[4-[4-(1H-benzimidazol-2-ylthio)butoxy]phenyl]acetic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCCCOC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCCCOC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C19H20N2O3S/c22-18(23)13-14-7-9-15(10-8-14)24-11-3-4-12-25-19-20-16-5-1-2-6-17(16)21-19/h1-2,5-10H,3-4,11-13H2,(H,20,21)(H,22,23)