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

Systemtic Name: ethyl 2-[6-(phenylsulfonylmethyl)-2-pyridin-4-yl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-(benzenesulfonylmethyl)-2-(4-pyridyl)pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-(benzenesulfonylmethyl)-2-pyridin-4-yl-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(benzenesulfonylmethyl)-2-pyridin-4-ylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-(besylmethyl)-2-(4-pyridyl)pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S2/c1-2-27-19(24)13-28-18-12-16(14-29(25,26)17-6-4-3-5-7-17)22-20(23-18)15-8-10-21-11-9-15/h3-12H,2,13-14H2,1H3