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

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C16H16BrN3O3S MolecularWeight: 410.28554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C16H16BrN3O3S/c1-10-7-11(2)19-16(18-10)24-9-15(22)23-8-14(21)20-13-5-3-12(17)4-6-13/h3-7H,8-9H2,1-2H3,(H,20,21)