diethyl 2-[(E)-[4-phenyl-5-(pyridin-3-ylcarbamoyl)-1,3-thiazol-2-yl]iminomethyl]propanedioate

Systemtic Name: diethyl 2-[(E)-[4-phenyl-5-(pyridin-3-ylcarbamoyl)-1,3-thiazol-2-yl]iminomethyl]propanedioate Openeye Name: diethyl 2-[(E)-[4-phenyl-5-(3-pyridylcarbamoyl)thiazol-2-yl]iminomethyl]propanedioate CAS Name: 2-[(E)-[5-[oxo-(3-pyridinylamino)methyl]-4-phenyl-2-thiazolyl]iminomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-[4-phenyl-5-(pyridin-3-ylcarbamoyl)-1,3-thiazol-2-yl]iminomethyl]propanedioate Traditional Name: 2-[(E)-[4-phenyl-5-(3-pyridylcarbamoyl)thiazol-2-yl]iminomethyl]malonic acid diethyl ester Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NC1=NC(=C(S1)C(=O)NC2=CN=CC=C2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(/C=N/C1=NC(=C(S1)C(=O)NC2=CN=CC=C2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H22N4O5S/c1-3-31-21(29)17(22(30)32-4-2)14-25-23-27-18(15-9-6-5-7-10-15)19(33-23)20(28)26-16-11-8-12-24-13-16/h5-14,17H,3-4H2,1-2H3,(H,26,28)/b25-14+