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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(4-bromophenyl)ethanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)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-(4-bromophenyl)acetate Traditional Name: 2-(4-bromophenyl)acetic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)CC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H13BrN2O3S/c1-10-9-23-16(19-10)13(7-18)14(20)8-22-15(21)6-11-2-4-12(17)5-3-11/h2-5,9,13H,6,8H2,1H3/t13-/m1/s1