ethyl 2-[4-(2,2-dimethylpropoxy)-3-nitro-phenyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[4-(2,2-dimethylpropoxy)-3-nitro-phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[4-(2,2-dimethylpropoxy)-3-nitro-phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[4-(2,2-dimethylpropoxy)-3-nitrophenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,2-dimethylpropoxy)-3-nitrophenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(4-neopentyloxy-3-nitro-phenyl)thiazole-5-carboxylic acid ethyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N2O5S/c1-6-24-17(21)15-11(2)19-16(26-15)12-7-8-14(13(9-12)20(22)23)25-10-18(3,4)5/h7-9H,6,10H2,1-5H3