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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-methyl-5-thiazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S/c1-11-15(17(21)23-10-14(20)18(2,3)4)24-16(19-11)12-6-8-13(22-5)9-7-12/h6-9H,10H2,1-5H3