diethyl 2-acetamido-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-[4-(p-tolyl)thiazol-2-yl]ethyl]propanedioate CAS Name: 2-acetamido-2-[2-[4-(4-methylphenyl)-2-thiazolyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]propanedioate Traditional Name: 2-acetamido-2-[2-[4-(p-tolyl)thiazol-2-yl]ethyl]malonic acid diethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=NC(=CS1)C2=CC=C(C=C2)C)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CCC1=NC(=CS1)C2=CC=C(C=C2)C)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-5-27-19(25)21(23-15(4)24,20(26)28-6-2)12-11-18-22-17(13-29-18)16-9-7-14(3)8-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,24)