[(1R)-1-cyanoethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OC(C)C#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)O[C@H](C)C#N

InChI

InChI=1S/C15H16N2O2S/c1-10-7-14(15(18)19-11(2)8-16)12(3)17(10)9-13-5-4-6-20-13/h4-7,11H,9H2,1-3H3/t11-/m1/s1