[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C14H13BrN2O3S2 MolecularWeight: 401.29862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C2=CC=C(S2)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C2=CC=C(S2)Br)C

InChI

InChI=1S/C14H13BrN2O3S2/c1-8-5-9(2)17-14(16-8)21-7-13(19)20-6-10(18)11-3-4-12(15)22-11/h3-5H,6-7H2,1-2H3