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

Systemtic Name: 2-[1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-(2,6-diethylanilino)-1-methyl-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[1-(2,6-diethylanilino)-1-oxopropan-2-yl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[1-(2,6-diethylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-(2,6-diethylanilino)-2-keto-1-methyl-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C18H22N2O3S MolecularWeight: 346.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)C2=NC(=C(S2)C(=O)O)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)C2=NC(=C(S2)C(=O)O)C

InChI

InChI=1S/C18H22N2O3S/c1-5-12-8-7-9-13(6-2)14(12)20-16(21)10(3)17-19-11(4)15(24-17)18(22)23/h7-10H,5-6H2,1-4H3,(H,20,21)(H,22,23)