ethyl 2,5-dimethyl-4-[2-(2-phenylsulfanylethanoyloxy)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(2-phenylsulfanylethanoyloxy)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(2-phenylsulfanylacetyl)oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[1-oxo-2-(phenylthio)ethoxy]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(2-phenylsulfanylacetyl)oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[2-(phenylthio)acetyl]oxyacetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CSC2=CC=CC=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CSC2=CC=CC=C2)C)C

InChI

InChI=1S/C19H21NO5S/c1-4-24-19(23)18-13(3)20-12(2)17(18)15(21)10-25-16(22)11-26-14-8-6-5-7-9-14/h5-9,20H,4,10-11H2,1-3H3