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

Systemtic Name: ethyl 2-[2-phenyl-6-(phenylsulfonylmethyl)pyrimidin-4-yl]sulfanylpropanoate Openeye Name: ethyl 2-[6-(benzenesulfonylmethyl)-2-phenyl-pyrimidin-4-yl]sulfanylpropanoate CAS Name: 2-[[6-(benzenesulfonylmethyl)-2-phenyl-4-pyrimidinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[6-(benzenesulfonylmethyl)-2-phenylpyrimidin-4-yl]sulfanylpropanoate Traditional Name: 2-[[6-(besylmethyl)-2-phenyl-pyrimidin-4-yl]thio]propionic acid ethyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC(=NC(=C1)CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)SC1=NC(=NC(=C1)CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S2/c1-3-28-22(25)16(2)29-20-14-18(15-30(26,27)19-12-8-5-9-13-19)23-21(24-20)17-10-6-4-7-11-17/h4-14,16H,3,15H2,1-2H3