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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 4-(phenoxymethyl)benzoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 4-(phenoxymethyl)benzoate CAS Name: 4-(phenoxymethyl)benzoic 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-(phenoxymethyl)benzoate Traditional Name: 4-(phenoxymethyl)benzoic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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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)COC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4S/c1-15-14-29-21(24-15)19(11-23)20(25)13-28-22(26)17-9-7-16(8-10-17)12-27-18-5-3-2-4-6-18/h2-10,14,19H,12-13H2,1H3/t19-/m1/s1