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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C16H15BrN2O3S MolecularWeight: 395.2709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O3S/c1-10-7-11(2)19-16(18-10)23-9-15(21)22-8-14(20)12-3-5-13(17)6-4-12/h3-7H,8-9H2,1-2H3