ethyl 5-(dimethylcarbamoyl)-2-[(4-ethylphenyl)carbonylamino]-4-(morpholin-4-ium-4-ylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(dimethylcarbamoyl)-2-[(4-ethylphenyl)carbonylamino]-4-(morpholin-4-ium-4-ylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylcarbamoyl)-2-[(4-ethylbenzoyl)amino]-4-(morpholin-4-ium-4-ylmethyl)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[(4-ethylphenyl)-oxomethyl]amino]-4-(4-morpholin-4-iumylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylcarbamoyl)-2-[(4-ethylbenzoyl)amino]-4-(morpholin-4-ium-4-ylmethyl)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[(4-ethylbenzoyl)amino]-4-(morpholin-4-ium-4-ylmethyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H32N3O5S+ MolecularWeight: 474.59298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)N(C)C)C[NH+]3CCOCC3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)N(C)C)C[NH+]3CCOCC3)C(=O)OCC

InChI

InChI=1S/C24H31N3O5S/c1-5-16-7-9-17(10-8-16)21(28)25-22-19(24(30)32-6-2)18(15-27-11-13-31-14-12-27)20(33-22)23(29)26(3)4/h7-10H,5-6,11-15H2,1-4H3,(H,25,28)/p+1