ethyl 5-[2-(4-tert-butylphenoxy)butanoylamino]-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-tert-butylphenoxy)butanoylamino]-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-[2-(4-tert-butylphenoxy)butanoylamino]-3-methyl-isothiazole-4-carboxylate CAS Name: 5-[[2-(4-tert-butylphenoxy)-1-oxobutyl]amino]-3-methyl-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-tert-butylphenoxy)butanoylamino]-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-[2-(4-tert-butylphenoxy)butanoylamino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=NS1)C)C(=O)OCC)OC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=NS1)C)C(=O)OCC)OC2=CC=C(C=C2)C(C)(C)C

InChI

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