ethyl 2-[2-phenyl-6-(phenylsulfonylmethyl)pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-phenyl-6-(phenylsulfonylmethyl)pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-(benzenesulfonylmethyl)-2-phenyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-(benzenesulfonylmethyl)-2-phenyl-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(benzenesulfonylmethyl)-2-phenylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-(besylmethyl)-2-phenyl-pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1)CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1)CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S2/c1-2-27-20(24)14-28-19-13-17(15-29(25,26)18-11-7-4-8-12-18)22-21(23-19)16-9-5-3-6-10-16/h3-13H,2,14-15H2,1H3