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

Systemtic Name: ethyl 4-[2-(2-ethylsulfanylphenyl)carbonyloxyethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(2-ethylsulfanylbenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[[2-(ethylthio)phenyl]-oxomethoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-ethylsulfanylbenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[2-(ethylthio)benzoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-5-25-20(24)18-13(4)21-12(3)17(18)15(22)11-26-19(23)14-9-7-8-10-16(14)27-6-2/h7-10,21H,5-6,11H2,1-4H3