[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxo-ethyl] 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid [2-[2,5-dimethyl-1-[3-(methylthio)phenyl]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid [2-[2,5-dimethyl-1-[3-(methylthio)phenyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H27N3O4S MolecularWeight: 465.56458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)COC(=O)C3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)COC(=O)C3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C25H27N3O4S/c1-17-13-22(18(2)28(17)20-5-4-6-21(14-20)33-3)23(29)16-32-25(30)19-7-8-24(26-15-19)27-9-11-31-12-10-27/h4-8,13-15H,9-12,16H2,1-3H3