ethyl 4-ethanoyl-3-methyl-5-[2-(phenylcarbonylsulfanyl)ethanoyloxymethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-ethanoyl-3-methyl-5-[2-(phenylcarbonylsulfanyl)ethanoyloxymethyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-acetyl-5-[(2-benzoylsulfanylacetyl)oxymethyl]-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-5-[[2-(benzoylthio)-1-oxoethoxy]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-[(2-benzoylsulfanylacetyl)oxymethyl]-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-5-[[2-(benzoylthio)acetyl]oxymethyl]-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)COC(=O)CSC(=O)C2=CC=CC=C2)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)COC(=O)CSC(=O)C2=CC=CC=C2)C(=O)C)C

InChI

InChI=1S/C20H21NO6S/c1-4-26-19(24)18-12(2)17(13(3)22)15(21-18)10-27-16(23)11-28-20(25)14-8-6-5-7-9-14/h5-9,21H,4,10-11H2,1-3H3