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

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-methyl-2-[[3-(4-morpholin-4-iumyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-methyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H26ClN2O4S+ MolecularWeight: 437.96014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-3-28-21(26)19-18(15-4-6-16(22)7-5-15)14(2)29-20(19)23-17(25)8-9-24-10-12-27-13-11-24/h4-7H,3,8-13H2,1-2H3,(H,23,25)/p+1