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

Systemtic Name: diethyl 2-acetamido-2-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-[4-(4-nitrophenyl)thiazol-2-yl]ethyl]propanedioate CAS Name: 2-acetamido-2-[2-[4-(4-nitrophenyl)-2-thiazolyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]propanedioate Traditional Name: 2-acetamido-2-[2-[4-(4-nitrophenyl)thiazol-2-yl]ethyl]malonic acid diethyl ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CCC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C20H23N3O7S/c1-4-29-18(25)20(22-13(3)24,19(26)30-5-2)11-10-17-21-16(12-31-17)14-6-8-15(9-7-14)23(27)28/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,24)