[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic 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-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C22H16N2O4S/c1-13-12-29-22(24-13)17(9-23)18(25)11-28-20(26)8-15-10-27-19-7-6-14-4-2-3-5-16(14)21(15)19/h2-7,10,12,17H,8,11H2,1H3/t17-/m1/s1