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

Systemtic Name: 4-methyl-2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethylamino]-1,3-thiazole-5-carboxylate Openeye Name: 4-methyl-2-[2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]ethylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethylamino]-5-thiazolecarboxylate IUPAC Name: 4-methyl-2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(4-cumylphenoxy)ethylamino]-4-methyl-thiazole-5-carboxylate Formula: C22H23N2O3S- MolecularWeight: 395.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCCOC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)NCCOC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H24N2O3S/c1-15-19(20(25)26)28-21(24-15)23-13-14-27-18-11-9-17(10-12-18)22(2,3)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,23,24)(H,25,26)/p-1