4-methyl-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylamino]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylamino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-(4-isopropyl-3-methyl-phenoxy)ethylamino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylamino]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylamino]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-(4-isopropyl-3-methyl-phenoxy)ethylamino]-4-methyl-thiazole-5-carboxylic acid Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCNC2=NC(=C(S2)C(=O)O)C)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCNC2=NC(=C(S2)C(=O)O)C)C(C)C

InChI

InChI=1S/C17H22N2O3S/c1-10(2)14-6-5-13(9-11(14)3)22-8-7-18-17-19-12(4)15(23-17)16(20)21/h5-6,9-10H,7-8H2,1-4H3,(H,18,19)(H,20,21)