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

Systemtic Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 1-benzothiophene-2-carboxylate Openeye Name: [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic 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] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C21H15N3O3S MolecularWeight: 389.4271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H15N3O3S/c1-12(27-21(26)18-10-13-6-2-5-9-17(13)28-18)19(25)14(11-22)20-23-15-7-3-4-8-16(15)24-20/h2-10,12,23-24H,1H3/t12-/m1/s1