ethyl 2-(2-morpholin-4-ium-4-ylethanoylimino)-7-(oxidanylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-morpholin-4-ium-4-ylethanoylimino)-7-(oxidanylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 7-(hydroxyamino)-2-(2-morpholin-4-ium-4-ylacetyl)imino-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 7-(hydroxyamino)-2-[2-(4-morpholin-4-iumyl)-1-oxoethyl]imino-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(hydroxyamino)-2-(2-morpholin-4-ium-4-ylacetyl)imino-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 7-(hydroxyamino)-2-(2-morpholin-4-ium-4-ylacetyl)imino-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C17H24N3O5S+ MolecularWeight: 382.45456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C[NH+]3CCOCC3)NO

Isomeric SMILES

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C[NH+]3CCOCC3)NO

InChI

InChI=1S/C17H23N3O5S/c1-2-25-17(22)14-11-4-3-5-12(19-23)15(11)26-16(14)18-13(21)10-20-6-8-24-9-7-20/h19,23H,2-10H2,1H3/p+1