methyl (2S)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-2-phenyl-acetic acid methyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC(C2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N[C@@H](C2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C17H19N3O3S/c1-11-9-12(2)19-17(18-11)24-10-14(21)20-15(16(22)23-3)13-7-5-4-6-8-13/h4-9,15H,10H2,1-3H3,(H,20,21)/t15-/m0/s1