methyl 5-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NC3=CC=CC=C3N2CCC#N)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NC3=CC=CC=C3N2CCC#N)C(=O)OC

InChI

InChI=1S/C18H17N3O3S/c1-12-14(17(22)23-2)10-13(24-12)11-25-18-20-15-6-3-4-7-16(15)21(18)9-5-8-19/h3-4,6-7,10H,5,9,11H2,1-2H3