(4-aminocarbonyl-2-nitro-phenyl)methyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-thiazolecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C20H17N3O7S/c1-28-16-6-5-12(8-17(16)29-2)19-22-14(10-31-19)20(25)30-9-13-4-3-11(18(21)24)7-15(13)23(26)27/h3-8,10H,9H2,1-2H3,(H2,21,24)