2-(4-hexoxy-3-nitro-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(4-hexoxy-3-nitro-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(4-hexoxy-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(4-hexoxy-3-nitrophenyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(4-hexoxy-3-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(4-hexoxy-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O5S/c1-3-4-5-6-9-24-14-8-7-12(10-13(14)19(22)23)16-18-11(2)15(25-16)17(20)21/h7-8,10H,3-6,9H2,1-2H3,(H,20,21)