ethyl 5-methoxy-2-(3-morpholin-4-ium-4-ylpropylsulfanylmethyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-methoxy-2-(3-morpholin-4-ium-4-ylpropylsulfanylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-methoxy-2-(3-morpholin-4-ium-4-ylpropylsulfanylmethyl)benzofuran-3-carboxylate CAS Name: 5-methoxy-2-[[3-(4-morpholin-4-iumyl)propylthio]methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-2-(3-morpholin-4-ium-4-ylpropylsulfanylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 5-methoxy-2-[(3-morpholin-4-ium-4-ylpropylthio)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C20H28NO5S+ MolecularWeight: 394.50502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)CSCCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)CSCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H27NO5S/c1-3-25-20(22)19-16-13-15(23-2)5-6-17(16)26-18(19)14-27-12-4-7-21-8-10-24-11-9-21/h5-6,13H,3-4,7-12,14H2,1-2H3/p+1