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

Systemtic Name: 2-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl]thiazole-4-carboxylic acid CAS Name: 2-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-thiazolecarboxylic acid IUPAC Name: 2-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl]thiazole-4-carboxylic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)C2=NC(=CS2)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)C2=NC(=CS2)C(=O)O)C

InChI

InChI=1S/C16H18N2O3S/c1-4-11-7-5-6-9(2)13(11)18-14(19)10(3)15-17-12(8-22-15)16(20)21/h5-8,10H,4H2,1-3H3,(H,18,19)(H,20,21)