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

Systemtic Name: 2-[(3-ethoxy-4-pentoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(3-ethoxy-4-pentoxy-phenyl)methylamino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[(3-ethoxy-4-pentoxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[(3-ethoxy-4-pentoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(4-amoxy-3-ethoxy-benzyl)amino]-4-methyl-thiazole-5-carboxylic acid Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CNC2=NC(=C(S2)C(=O)O)C)OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CNC2=NC(=C(S2)C(=O)O)C)OCC

InChI

InChI=1S/C19H26N2O4S/c1-4-6-7-10-25-15-9-8-14(11-16(15)24-5-2)12-20-19-21-13(3)17(26-19)18(22)23/h8-9,11H,4-7,10,12H2,1-3H3,(H,20,21)(H,22,23)