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

Systemtic Name: ethyl 5-methoxy-2-(morpholin-4-ium-4-ylmethylsulfanylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-methoxy-2-(morpholin-4-ium-4-ylmethylsulfanylmethyl)benzofuran-3-carboxylate CAS Name: 5-methoxy-2-[(4-morpholin-4-iumylmethylthio)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-2-(morpholin-4-ium-4-ylmethylsulfanylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 5-methoxy-2-[(morpholin-4-ium-4-ylmethylthio)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C18H24NO5S+ MolecularWeight: 366.45186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5S/c1-3-23-18(20)17-14-10-13(21-2)4-5-15(14)24-16(17)11-25-12-19-6-8-22-9-7-19/h4-5,10H,3,6-9,11-12H2,1-2H3/p+1