[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(4-ethylphenyl)thiazole-4-carboxylate CAS Name: 2-(4-ethylphenyl)-4-thiazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-ethylphenyl)thiazole-4-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c1-3-14-5-8-15(9-6-14)20-22-17(12-29-20)21(25)28-11-19(24)16-7-4-13(2)18(10-16)23(26)27/h4-10,12H,3,11H2,1-2H3