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

Systemtic Name: ethyl 3-methyl-5-[2-[4-(2-phenylpropan-2-yl)phenoxy]butanoylamino]-1,2-thiazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-[2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]butanoylamino]isothiazole-4-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(2-phenylpropan-2-yl)phenoxy]butyl]amino]-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[2-[4-(2-phenylpropan-2-yl)phenoxy]butanoylamino]-1,2-thiazole-4-carboxylate Traditional Name: 5-[2-(4-cumylphenoxy)butanoylamino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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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)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=NS1)C)C(=O)OCC)OC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C26H30N2O4S/c1-6-21(23(29)27-24-22(17(3)28-33-24)25(30)31-7-2)32-20-15-13-19(14-16-20)26(4,5)18-11-9-8-10-12-18/h8-16,21H,6-7H2,1-5H3,(H,27,29)