thiophen-2-ylmethyl 2-(5-bromanyl-4,6-dimethyl-pyrimidin-2-yl)sulfonylethanoate

Systemtic Name: thiophen-2-ylmethyl 2-(5-bromanyl-4,6-dimethyl-pyrimidin-2-yl)sulfonylethanoate Openeye Name: 2-thienylmethyl 2-(5-bromo-4,6-dimethyl-pyrimidin-2-yl)sulfonylacetate CAS Name: 2-[(5-bromo-4,6-dimethyl-2-pyrimidinyl)sulfonyl]acetic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 2-(5-bromo-4,6-dimethylpyrimidin-2-yl)sulfonylacetate Traditional Name: 2-(5-bromo-4,6-dimethyl-pyrimidin-2-yl)sulfonylacetic acid 2-thenyl ester Formula: C13H13BrN2O4S2 MolecularWeight: 405.28732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)S(=O)(=O)CC(=O)OCC2=CC=CS2)C)Br

Isomeric SMILES

CC1=C(C(=NC(=N1)S(=O)(=O)CC(=O)OCC2=CC=CS2)C)Br

InChI

InChI=1S/C13H13BrN2O4S2/c1-8-12(14)9(2)16-13(15-8)22(18,19)7-11(17)20-6-10-4-3-5-21-10/h3-5H,6-7H2,1-2H3