dimethyl 5-(2-methylsulfanylethyl)-4-oxidanyl-1H-pyrrole-2,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-methylsulfanylethyl)-4-oxidanyl-1H-pyrrole-2,3-dicarboxylate Openeye Name: dimethyl 4-hydroxy-5-(2-methylsulfanylethyl)-1H-pyrrole-2,3-dicarboxylate CAS Name: 4-hydroxy-5-[2-(methylthio)ethyl]-1H-pyrrole-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-hydroxy-5-(2-methylsulfanylethyl)-1H-pyrrole-2,3-dicarboxylate Traditional Name: 4-hydroxy-5-[2-(methylthio)ethyl]-1H-pyrrole-2,3-dicarboxylic acid dimethyl ester Formula: C11H15NO5S MolecularWeight: 273.3055

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=C1O)CCSC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(NC(=C1O)CCSC)C(=O)OC

InChI

InChI=1S/C11H15NO5S/c1-16-10(14)7-8(11(15)17-2)12-6(9(7)13)4-5-18-3/h12-13H,4-5H2,1-3H3