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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H23N2O5S+ MolecularWeight: 355.42922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+]2CCOCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+]2CCOCC2

InChI

InChI=1S/C16H22N2O5S/c1-4-23-16(21)13-10(2)14(11(3)19)24-15(13)17-12(20)9-18-5-7-22-8-6-18/h4-9H2,1-3H3,(H,17,20)/p+1