diethyl 5-(4,5-dihydro-1,3-oxazol-2-ylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-(4,5-dihydro-1,3-oxazol-2-ylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-(4,5-dihydrooxazol-2-ylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(4,5-dihydrooxazol-2-ylthio)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(4,5-dihydro-1,3-oxazol-2-ylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-oxazolin-2-ylthio)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NCCO2

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NCCO2

InChI

InChI=1S/C15H20N2O5S/c1-4-20-13(18)11-9(3)12(14(19)21-5-2)17-10(11)8-23-15-16-6-7-22-15/h17H,4-8H2,1-3H3