ethyl (2S,3R)-5-(1H-benzimidazol-2-yl)-4-methyl-2-phenyl-2,3-dihydrothiophene-3-carboxylate

Systemtic Name: ethyl (2S,3R)-5-(1H-benzimidazol-2-yl)-4-methyl-2-phenyl-2,3-dihydrothiophene-3-carboxylate Openeye Name: ethyl (2S,3R)-5-(1H-benzimidazol-2-yl)-4-methyl-2-phenyl-2,3-dihydrothiophene-3-carboxylate CAS Name: (2S,3R)-5-(1H-benzimidazol-2-yl)-4-methyl-2-phenyl-2,3-dihydrothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-5-(1H-benzimidazol-2-yl)-4-methyl-2-phenyl-2,3-dihydrothiophene-3-carboxylate Traditional Name: (2S,3R)-5-(1H-benzimidazol-2-yl)-4-methyl-2-phenyl-2,3-dihydrothiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O2S MolecularWeight: 364.4607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC(=C1C)C2=NC3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](SC(=C1C)C2=NC3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O2S/c1-3-25-21(24)17-13(2)18(26-19(17)14-9-5-4-6-10-14)20-22-15-11-7-8-12-16(15)23-20/h4-12,17,19H,3H2,1-2H3,(H,22,23)/t17-,19+/m0/s1