2-[2-[(3-methoxycarbonylphenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(3-methoxycarbonylphenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[(3-methoxycarbonylphenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[(3-methoxycarbonylphenyl)methylthio]-5-(trifluoromethyl)-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[(3-methoxycarbonylphenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(3-carbomethoxybenzyl)thio]-5-(trifluoromethyl)benzimidazol-1-yl]acetic acid Formula: C19H15F3N2O4S MolecularWeight: 424.39361

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC3=C(N2CC(=O)O)C=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC3=C(N2CC(=O)O)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O4S/c1-28-17(27)12-4-2-3-11(7-12)10-29-18-23-14-8-13(19(20,21)22)5-6-15(14)24(18)9-16(25)26/h2-8H,9-10H2,1H3,(H,25,26)