ethyl 4-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O4S/c1-3-29-21(27)9-6-14-23-20(26)15-30-22-24-18-7-4-5-8-19(18)25(22)16-10-12-17(28-2)13-11-16/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,23,26)