tert-butyl 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]acetic acid tert-butyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2N1CCC#N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2N1CCC#N

InChI

InChI=1S/C16H19N3O2S/c1-16(2,3)21-14(20)11-22-15-18-12-7-4-5-8-13(12)19(15)10-6-9-17/h4-5,7-8H,6,10-11H2,1-3H3