[2-oxidanylidene-2-(phenethylamino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C18H21N3O3S/c1-13-10-14(2)21-18(20-13)25-12-17(23)24-11-16(22)19-9-8-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3,(H,19,22)