(3,3-dimethyl-2-oxidanylidene-butyl) 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-methyl-2-(2-pyridyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(2-pyridinyl)-5-thiazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(2-pyridyl)thiazole-5-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)OCC(=O)C(C)(C)C

InChI

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