[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C19H23N3O3S/c1-11-6-7-12(2)16(8-11)22-18(24)15(5)25-17(23)10-26-19-20-13(3)9-14(4)21-19/h6-9,15H,10H2,1-5H3,(H,22,24)