2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-(2,6-diethylanilino)-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-(2,6-diethylanilino)-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-(2,6-diethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-(2,6-diethylanilino)-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CC2=NC(=C(S2)C(=O)O)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CC2=NC(=C(S2)C(=O)O)C

InChI

InChI=1S/C17H20N2O3S/c1-4-11-7-6-8-12(5-2)15(11)19-13(20)9-14-18-10(3)16(23-14)17(21)22/h6-8H,4-5,9H2,1-3H3,(H,19,20)(H,21,22)