methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-ethyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[[3-(4-butoxy-3-ethoxyphenyl)-1-oxopropyl]amino]-4-ethyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-ethyl-thiazole-5-carboxylic acid methyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=NC(=C(S2)C(=O)OC)CC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=NC(=C(S2)C(=O)OC)CC)OCC

InChI

InChI=1S/C22H30N2O5S/c1-5-8-13-29-17-11-9-15(14-18(17)28-7-3)10-12-19(25)24-22-23-16(6-2)20(30-22)21(26)27-4/h9,11,14H,5-8,10,12-13H2,1-4H3,(H,23,24,25)