(4-aminocarbonyl-2-nitro-phenyl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])NC

InChI

InChI=1S/C14H14N4O5S/c1-7-11(13(16-2)24-17-7)14(20)23-6-9-4-3-8(12(15)19)5-10(9)18(21)22/h3-5,16H,6H2,1-2H3,(H2,15,19)