[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 2-methylsulfonylbenzoate

Systemtic Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] ester IUPAC Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H17N3O5S/c1-12(28-20(25)13-7-3-6-10-17(13)29(2,26)27)18(24)14(11-21)19-22-15-8-4-5-9-16(15)23-19/h3-10,12,22-23H,1-2H3/t12-/m1/s1