[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H24N2O3S MolecularWeight: 420.52396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H24N2O3S/c1-17-14-22(18(2)26(17)12-11-21-4-3-13-30-21)23(27)16-29-24(28)10-9-19-5-7-20(15-25)8-6-19/h3-8,13-14H,9-12,16H2,1-2H3