ethyl 4-[5,6-dimethyl-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[5,6-dimethyl-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[5,6-dimethyl-1-(1-naphthylmethyl)benzimidazol-2-yl]sulfanylbutanoate CAS Name: 4-[[5,6-dimethyl-1-(1-naphthalenylmethyl)-2-benzimidazolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5,6-dimethyl-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoate Traditional Name: 4-[[5,6-dimethyl-1-(1-naphthylmethyl)benzimidazol-2-yl]thio]butyric acid ethyl ester Formula: C26H28N2O2S MolecularWeight: 432.57772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C=C(C(=C2)C)C

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C=C(C(=C2)C)C

InChI

InChI=1S/C26H28N2O2S/c1-4-30-25(29)13-8-14-31-26-27-23-15-18(2)19(3)16-24(23)28(26)17-21-11-7-10-20-9-5-6-12-22(20)21/h5-7,9-12,15-16H,4,8,13-14,17H2,1-3H3