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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 4-bromanylbenzoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 4-bromobenzoate CAS Name: 4-bromobenzoic 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] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C15H11BrN2O3S MolecularWeight: 379.22844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN2O3S/c1-9-8-22-14(18-9)12(6-17)13(19)7-21-15(20)10-2-4-11(16)5-3-10/h2-5,8,12H,7H2,1H3/t12-/m1/s1