ethyl 4-(4-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H25N2O5S+ MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C20H24N2O5S/c1-3-27-20(24)18-16(14-4-6-15(25-2)7-5-14)13-28-19(18)21-17(23)12-22-8-10-26-11-9-22/h4-7,13H,3,8-12H2,1-2H3,(H,21,23)/p+1