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

Systemtic Name: 2-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CC2=NC(=C(S2)C(=O)O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CC2=NC(=C(S2)C(=O)O)C)C

InChI

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