O4-tert-butyl O2-propyl 3-methyl-5-pyridin-2-ylsulfanylcarbonyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-propyl 3-methyl-5-pyridin-2-ylsulfanylcarbonyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-propyl 3-methyl-5-(2-pyridylsulfanylcarbonyl)-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[oxo-(2-pyridinylthio)methyl]-1H-pyrrole-2,4-dicarboxylic acid O4-tert-butyl ester O2-propyl ester IUPAC Name: 4-O-tert-butyl 2-O-propyl 3-methyl-5-pyridin-2-ylsulfanylcarbonyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-(2-pyridylthio)carbonyl-1H-pyrrole-2,4-dicarboxylic acid O4-tert-butyl ester O2-propyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=C(N1)C(=O)SC2=CC=CC=N2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCOC(=O)C1=C(C(=C(N1)C(=O)SC2=CC=CC=N2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C20H24N2O5S/c1-6-11-26-18(24)15-12(2)14(17(23)27-20(3,4)5)16(22-15)19(25)28-13-9-7-8-10-21-13/h7-10,22H,6,11H2,1-5H3