[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C19H17BrN2O3S MolecularWeight: 433.31888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)OCC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)OCC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C19H17BrN2O3S/c1-11-12(2)16(8-21)19(22-13(11)3)26-10-18(24)25-9-17(23)14-4-6-15(20)7-5-14/h4-7H,9-10H2,1-3H3