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

Systemtic Name: ethyl 5-methoxy-2-(morpholin-4-ium-4-ylmethylsulfanylmethyl)-1-benzofuran-3-carboxylate chloride Openeye Name: ethyl 5-methoxy-2-(morpholin-4-ium-4-ylmethylsulfanylmethyl)benzofuran-3-carboxylate chloride CAS Name: 5-methoxy-2-[(4-morpholin-4-iumylmethylthio)methyl]-3-benzofurancarboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-methoxy-2-(morpholin-4-ium-4-ylmethylsulfanylmethyl)-1-benzofuran-3-carboxylate chloride Traditional Name: 5-methoxy-2-[(morpholin-4-ium-4-ylmethylthio)methyl]benzofuran-3-carboxylic acid ethyl ester chloride Formula: C18H24ClNO5S MolecularWeight: 401.90486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5S.ClH/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;1H