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

Systemtic Name: ethyl 4-methyl-2-[4-(2-methylpropoxy)-3-nitro-phenyl]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(4-isobutoxy-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[4-(2-methylpropoxy)-3-nitrophenyl]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[4-(2-methylpropoxy)-3-nitrophenyl]-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-isobutoxy-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S/c1-5-23-17(20)15-11(4)18-16(25-15)12-6-7-14(24-9-10(2)3)13(8-12)19(21)22/h6-8,10H,5,9H2,1-4H3