diethyl 4-acetamido-5-(2-methylsulfanylethyl)pyrrole-1,3-dicarboxylate

Systemtic Name: diethyl 4-acetamido-5-(2-methylsulfanylethyl)pyrrole-1,3-dicarboxylate Openeye Name: diethyl 4-acetamido-5-(2-methylsulfanylethyl)pyrrole-1,3-dicarboxylate CAS Name: 4-acetamido-5-[2-(methylthio)ethyl]pyrrole-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-acetamido-5-(2-methylsulfanylethyl)pyrrole-1,3-dicarboxylate Traditional Name: 4-acetamido-5-[2-(methylthio)ethyl]pyrrole-1,3-dicarboxylic acid diethyl ester Formula: C15H22N2O5S MolecularWeight: 342.41058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C1NC(=O)C)CCSC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CN(C(=C1NC(=O)C)CCSC)C(=O)OCC

InChI

InChI=1S/C15H22N2O5S/c1-5-21-14(19)11-9-17(15(20)22-6-2)12(7-8-23-4)13(11)16-10(3)18/h9H,5-8H2,1-4H3,(H,16,18)