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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(3-chlorophenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(3-chlorophenyl)-4-methyl-5-thiazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(3-chlorophenyl)-4-methyl-thiazole-5-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H18ClNO3S MolecularWeight: 351.84772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO3S/c1-10-14(16(21)22-9-13(20)17(2,3)4)23-15(19-10)11-6-5-7-12(18)8-11/h5-8H,9H2,1-4H3