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

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[3-(4-morpholin-4-iumyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H24ClN2O4S+ MolecularWeight: 423.93356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CC[NH+]3CCOCC3

InChI

InChI=1S/C20H23ClN2O4S/c1-2-27-20(25)18-15(14-5-3-4-6-16(14)21)13-28-19(18)22-17(24)7-8-23-9-11-26-12-10-23/h3-6,13H,2,7-12H2,1H3,(H,22,24)/p+1