[2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3S/c1-22(2,3)25-19(27)13-29-20(28)14-30-21-24-17-11-16(23)9-10-18(17)26(21)12-15-7-5-4-6-8-15/h4-11H,12-14H2,1-3H3,(H,25,27)