3-[2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid Openeye Name: 3-[2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid CAS Name: 3-[2-[2-(3,4-dimethylphenoxy)ethylthio]-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid Traditional Name: 3-[2-[2-(3,4-dimethylphenoxy)ethylthio]benzimidazol-1-yl]propionic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O)C

InChI

InChI=1S/C20H22N2O3S/c1-14-7-8-16(13-15(14)2)25-11-12-26-20-21-17-5-3-4-6-18(17)22(20)10-9-19(23)24/h3-8,13H,9-12H2,1-2H3,(H,23,24)