ethyl 5-(4-chlorophenyl)-3-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-3-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-3-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-2-carboxylate CAS Name: 5-(4-chlorophenyl)-3-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-3-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-2-carboxylate Traditional Name: 5-(4-chlorophenyl)-3-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C19H22ClN2O4S+ MolecularWeight: 409.90698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C19H21ClN2O4S/c1-2-26-19(24)18-15(21-17(23)12-22-7-9-25-10-8-22)11-16(27-18)13-3-5-14(20)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,21,23)/p+1