[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 5-(phenoxymethyl)furan-2-carboxylate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 5-(phenoxymethyl)furan-2-carboxylate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 5-(phenoxymethyl)furan-2-carboxylate CAS Name: 5-(phenoxymethyl)-2-furancarboxylic 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] 5-(phenoxymethyl)furan-2-carboxylate Traditional Name: 5-(phenoxymethyl)furan-2-carboxylic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=CC=C(O2)COC3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2=CC=C(O2)COC3=CC=CC=C3

InChI

InChI=1S/C20H16N2O5S/c1-13-12-28-19(22-13)16(9-21)17(23)11-26-20(24)18-8-7-15(27-18)10-25-14-5-3-2-4-6-14/h2-8,12,16H,10-11H2,1H3/t16-/m1/s1