[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CSC(=N2)NCCC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CSC(=N2)NCCC(C)C)C

InChI

InChI=1S/C19H24N2O3S/c1-12(2)7-8-20-19-21-16(11-25-19)18(23)24-10-17(22)15-6-5-13(3)9-14(15)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,20,21)