2-[2-[2-(3,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-[2-(3,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[2-(3,4-dimethylphenoxy)ethylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-[2-(3,4-dimethylphenoxy)ethylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-[2-(3,4-dimethylphenoxy)ethylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-[2-(3,4-dimethylphenoxy)ethylamino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCNC(=O)CC2=NC(=C(S2)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCNC(=O)CC2=NC(=C(S2)C(=O)O)C)C

InChI

InChI=1S/C17H20N2O4S/c1-10-4-5-13(8-11(10)2)23-7-6-18-14(20)9-15-19-12(3)16(24-15)17(21)22/h4-5,8H,6-7,9H2,1-3H3,(H,18,20)(H,21,22)