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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-phenoxybenzoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-phenoxybenzoate CAS Name: 2-phenoxybenzoic 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-phenoxybenzoate Traditional Name: 2-phenoxybenzoic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=CC=CC=C2OC3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2=CC=CC=C2OC3=CC=CC=C3

InChI

InChI=1S/C21H16N2O4S/c1-14-13-28-20(23-14)17(11-22)18(24)12-26-21(25)16-9-5-6-10-19(16)27-15-7-3-2-4-8-15/h2-10,13,17H,12H2,1H3/t17-/m1/s1