diethyl 3-methyl-5-[[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCC(=O)C2=C(N(C(=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCC(=O)C2=C(N(C(=C2)C)C)C

InChI

InChI=1S/C21H28N2O5S/c1-7-27-20(25)18-13(4)19(21(26)28-8-2)22-16(18)10-29-11-17(24)15-9-12(3)23(6)14(15)5/h9,22H,7-8,10-11H2,1-6H3