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

Systemtic Name: 2-[2-(2-tert-butyl-5-methyl-phenoxy)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-(2-tert-butyl-5-methyl-phenoxy)ethylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-(2-tert-butyl-5-methylphenoxy)ethylamino]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[2-(2-tert-butyl-5-methylphenoxy)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(2-tert-butyl-5-methyl-phenoxy)ethylamino]-4-methyl-thiazole-5-carboxylate Formula: C18H23N2O3S- MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OCCNC2=NC(=C(S2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)OCCNC2=NC(=C(S2)C(=O)[O-])C

InChI

InChI=1S/C18H24N2O3S/c1-11-6-7-13(18(3,4)5)14(10-11)23-9-8-19-17-20-12(2)15(24-17)16(21)22/h6-7,10H,8-9H2,1-5H3,(H,19,20)(H,21,22)/p-1