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

Systemtic Name: ethyl 5-methyl-2-(2-morpholin-4-ium-4-ylethanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-3-26-20(24)18-17(15-7-5-4-6-8-15)14(2)27-19(18)21-16(23)13-22-9-11-25-12-10-22/h4-8H,3,9-13H2,1-2H3,(H,21,23)/p+1