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

Systemtic Name: diethyl 2-acetamido-2-[2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-[4-(m-tolyl)thiazol-2-yl]ethyl]propanedioate CAS Name: 2-acetamido-2-[2-[4-(3-methylphenyl)-2-thiazolyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethyl]propanedioate Traditional Name: 2-acetamido-2-[2-[4-(m-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(=CC=C2)C)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CCC1=NC(=CS1)C2=CC(=CC=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)11-10-18-22-17(13-29-18)16-9-7-8-14(3)12-16/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,23,24)