(phenylmethyl) 4-chloranyl-4-(2-fluoranyl-3H-benzimidazol-5-yl)-3-sulfanyl-butanoate

Systemtic Name: (phenylmethyl) 4-chloranyl-4-(2-fluoranyl-3H-benzimidazol-5-yl)-3-sulfanyl-butanoate Openeye Name: benzyl 4-chloro-4-(2-fluoro-3H-benzimidazol-5-yl)-3-sulfanyl-butanoate CAS Name: 4-chloro-4-(2-fluoro-3H-benzimidazol-5-yl)-3-mercaptobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-chloro-4-(2-fluoro-3H-benzimidazol-5-yl)-3-sulfanylbutanoate Traditional Name: 4-chloro-4-(2-fluoro-3H-benzimidazol-5-yl)-3-mercapto-butyric acid benzyl ester Formula: C18H16ClFN2O2S MolecularWeight: 378.848243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(C2=CC3=C(C=C2)N=C(N3)F)Cl)S

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C(C2=CC3=C(C=C2)N=C(N3)F)Cl)S

InChI

InChI=1S/C18H16ClFN2O2S/c19-17(12-6-7-13-14(8-12)22-18(20)21-13)15(25)9-16(23)24-10-11-4-2-1-3-5-11/h1-8,15,17,25H,9-10H2,(H,21,22)