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

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-ethylphenyl)-4-methyl-5-thiazolecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C21H19N3O5S/c1-3-13-4-6-14(7-5-13)20-23-12(2)18(30-20)21(26)29-11-16-9-8-15(19(22)25)10-17(16)24(27)28/h4-10H,3,11H2,1-2H3,(H2,22,25)