ethyl 4-[1-(2-methylbutyl)-5-sulfanyl-2,3-dihydropyrrol-4-yl]-5-propanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[1-(2-methylbutyl)-5-sulfanyl-2,3-dihydropyrrol-4-yl]-5-propanoyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[1-(2-methylbutyl)-5-sulfanyl-2,3-dihydropyrrol-4-yl]-5-propanoyl-1H-pyrrole-2-carboxylate CAS Name: 4-[5-mercapto-1-(2-methylbutyl)-2,3-dihydropyrrol-4-yl]-5-(1-oxopropyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(2-methylbutyl)-5-sulfanyl-2,3-dihydropyrrol-4-yl]-5-propanoyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-mercapto-1-(2-methylbutyl)-2-pyrrolin-3-yl]-5-propionyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1CCC(=C1S)C2=C(NC(=C2)C(=O)OCC)C(=O)CC

Isomeric SMILES

CCC(C)CN1CCC(=C1S)C2=C(NC(=C2)C(=O)OCC)C(=O)CC

InChI

InChI=1S/C19H28N2O3S/c1-5-12(4)11-21-9-8-13(18(21)25)14-10-15(19(23)24-7-3)20-17(14)16(22)6-2/h10,12,20,25H,5-9,11H2,1-4H3