[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=CC=C1CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=CC=C1CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C21H27N3O3S/c1-5-17(6-2)24-19(25)12-27-20(26)18-10-8-7-9-16(18)13-28-21-22-14(3)11-15(4)23-21/h7-11,17H,5-6,12-13H2,1-4H3,(H,24,25)