methyl 4-ethyl-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-ethyl-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-ethyl-2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]thiazole-5-carboxylate CAS Name: 4-ethyl-2-[[4-(3-methyl-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-ethyl-2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]thiazole-5-carboxylic acid methyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)NC(=O)CCCOC2=CC(=C(C=C2)C(C)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(SC(=N1)NC(=O)CCCOC2=CC(=C(C=C2)C(C)C)C)C(=O)OC

InChI

InChI=1S/C21H28N2O4S/c1-6-17-19(20(25)26-5)28-21(22-17)23-18(24)8-7-11-27-15-9-10-16(13(2)3)14(4)12-15/h9-10,12-13H,6-8,11H2,1-5H3,(H,22,23,24)