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

Systemtic Name: ethyl 5-methyl-4-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-methylphenyl)-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-4-27-21(25)19-18(16-7-5-14(2)6-8-16)15(3)28-20(19)22-17(24)13-23-9-11-26-12-10-23/h5-8H,4,9-13H2,1-3H3,(H,22,24)/p+1