tert-butyl 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[(1-p-phenetylbenzimidazol-2-yl)thio]acetic acid tert-butyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)OC(C)(C)C

InChI

InChI=1S/C21H24N2O3S/c1-5-25-16-12-10-15(11-13-16)23-18-9-7-6-8-17(18)22-20(23)27-14-19(24)26-21(2,3)4/h6-13H,5,14H2,1-4H3