ethyl 3-cyano-2-(2-morpholin-4-ium-4-ylethanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 3-cyano-2-(2-morpholin-4-ium-4-ylethanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-cyano-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C17H23N4O4S+ MolecularWeight: 379.45392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C17H22N4O4S/c1-2-25-17(23)21-4-3-12-13(9-18)16(26-14(12)10-21)19-15(22)11-20-5-7-24-8-6-20/h2-8,10-11H2,1H3,(H,19,22)/p+1