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

Systemtic Name: ethyl 4-methyl-2-[4-(3-methylbutoxy)-3-nitro-phenyl]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(4-isopentyloxy-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[4-(3-methylbutoxy)-3-nitrophenyl]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[4-(3-methylbutoxy)-3-nitrophenyl]-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-isoamoxy-3-nitro-phenyl)-4-methyl-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)OCCC(C)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-5-24-18(21)16-12(4)19-17(26-16)13-6-7-15(14(10-13)20(22)23)25-9-8-11(2)3/h6-7,10-11H,5,8-9H2,1-4H3