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

Systemtic Name: 2-[2-[(4-butoxy-3-ethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[(4-butoxy-3-ethoxy-phenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-[(4-butoxy-3-ethoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-[(4-butoxy-3-ethoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-[(4-butoxy-3-ethoxy-benzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=C(S2)C(=O)O)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=C(S2)C(=O)O)C)OCC

InChI

InChI=1S/C20H26N2O5S/c1-4-6-9-27-15-8-7-14(10-16(15)26-5-2)12-21-17(23)11-18-22-13(3)19(28-18)20(24)25/h7-8,10H,4-6,9,11-12H2,1-3H3,(H,21,23)(H,24,25)