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

Systemtic Name: ethyl 5-ethyl-4-methyl-2-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-4-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-4-methyl-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-4-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-4-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H25N2O4S+ MolecularWeight: 341.4457

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)C[NH+]2CCOCC2)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)C[NH+]2CCOCC2)C(=O)OCC)C

InChI

InChI=1S/C16H24N2O4S/c1-4-12-11(3)14(16(20)22-5-2)15(23-12)17-13(19)10-18-6-8-21-9-7-18/h4-10H2,1-3H3,(H,17,19)/p+1