[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-cyclohexyl-1,3-dioxo-5-isoindolecarboxylic 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-cyclohexyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-cyclohexyl-1,3-diketo-isoindoline-5-carboxylic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C23H21N3O5S/c1-13-12-32-20(25-13)18(10-24)19(27)11-31-23(30)14-7-8-16-17(9-14)22(29)26(21(16)28)15-5-3-2-4-6-15/h7-9,12,15,18H,2-6,11H2,1H3/t18-/m1/s1