[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H13BrN2O4S/c1-10-9-24-16(19-10)13(6-18)14(20)7-23-15(21)8-22-12-4-2-3-11(17)5-12/h2-5,9,13H,7-8H2,1H3/t13-/m1/s1