ethyl 3-[2-(hydroxymethyl)phenyl]sulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(hydroxymethyl)phenyl]sulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[2-(hydroxymethyl)phenyl]sulfanyl-6-(3-pyridylmethoxy)benzothiophene-2-carboxylate CAS Name: 3-[[2-(hydroxymethyl)phenyl]thio]-6-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(hydroxymethyl)phenyl]sulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-[(2-methylolphenyl)thio]-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid ethyl ester Formula: C24H21NO4S2 MolecularWeight: 451.55784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)OCC3=CN=CC=C3)SC4=CC=CC=C4CO

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)OCC3=CN=CC=C3)SC4=CC=CC=C4CO

InChI

InChI=1S/C24H21NO4S2/c1-2-28-24(27)23-22(30-20-8-4-3-7-17(20)14-26)19-10-9-18(12-21(19)31-23)29-15-16-6-5-11-25-13-16/h3-13,26H,2,14-15H2,1H3