ethyl 2,5-dimethyl-4-[2-[2-(2-oxidanylidenepropylsulfanyl)phenyl]carbonyloxyethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[2-(2-oxidanylidenepropylsulfanyl)phenyl]carbonyloxyethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(2-acetonylsulfanylbenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[oxo-[2-(2-oxopropylthio)phenyl]methoxy]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[2-(2-oxopropylsulfanyl)benzoyl]oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[2-(acetonylthio)benzoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC=CC=C2SCC(=O)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC=CC=C2SCC(=O)C)C)C

InChI

InChI=1S/C21H23NO6S/c1-5-27-21(26)19-14(4)22-13(3)18(19)16(24)10-28-20(25)15-8-6-7-9-17(15)29-11-12(2)23/h6-9,22H,5,10-11H2,1-4H3