(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C20H18N2O3S/c1-13-9-14(2)22-20(21-13)26-12-19(24)25-11-18(23)17-8-7-15-5-3-4-6-16(15)10-17/h3-10H,11-12H2,1-2H3