[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=CC=C1CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=CC=C1CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C20H25N3O3S/c1-5-10-21-18(24)15(4)26-19(25)17-9-7-6-8-16(17)12-27-20-22-13(2)11-14(3)23-20/h6-9,11,15H,5,10,12H2,1-4H3,(H,21,24)/t15-/m0/s1