ethyl 6-(1H-imidazol-2-ylmethyl)-3-(3-methoxyphenyl)sulfanyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 6-(1H-imidazol-2-ylmethyl)-3-(3-methoxyphenyl)sulfanyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 6-(1H-imidazol-2-ylmethyl)-3-(3-methoxyphenyl)sulfanyl-benzothiophene-2-carboxylate CAS Name: 6-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenyl)thio]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1H-imidazol-2-ylmethyl)-3-(3-methoxyphenyl)sulfanyl-1-benzothiophene-2-carboxylate Traditional Name: 6-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenyl)thio]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)CC3=NC=CN3)SC4=CC=CC(=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)CC3=NC=CN3)SC4=CC=CC(=C4)OC

InChI

InChI=1S/C22H20N2O3S2/c1-3-27-22(25)21-20(28-16-6-4-5-15(13-16)26-2)17-8-7-14(11-18(17)29-21)12-19-23-9-10-24-19/h4-11,13H,3,12H2,1-2H3,(H,23,24)