tert-butyl 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetic acid tert-butyl ester Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl

InChI

InChI=1S/C20H21ClN2O2S/c1-20(2,3)25-18(24)13-26-19-22-16-11-15(21)9-10-17(16)23(19)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3