(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 5-morpholino-4-phenyl-thiophene-2-carboxylate CAS Name: 5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate Traditional Name: 5-morpholino-4-phenyl-thiophene-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(S1)N2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(S1)N2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-14(23)17(12-22)18(25)13-28-21(26)19-11-16(15-5-3-2-4-6-15)20(29-19)24-7-9-27-10-8-24/h2-6,11,17,23H,7-10,13H2,1H3