2-[2-[(3-ethoxy-4-pentoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-[(3-ethoxy-4-pentoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[(3-ethoxy-4-pentoxy-phenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-[(3-ethoxy-4-pentoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-[(3-ethoxy-4-pentoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-[(4-amoxy-3-ethoxy-benzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=C(S2)C(=O)O)C)OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=C(S2)C(=O)O)C)OCC

InChI

InChI=1S/C21H28N2O5S/c1-4-6-7-10-28-16-9-8-15(11-17(16)27-5-2)13-22-18(24)12-19-23-14(3)20(29-19)21(25)26/h8-9,11H,4-7,10,12-13H2,1-3H3,(H,22,24)(H,25,26)