ethyl 5-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(2-chloro-5-methylsulfanyl-benzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[2-chloro-5-(methylthio)phenyl]-oxomethoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-chloro-5-methylsulfanylbenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[2-chloro-5-(methylthio)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)SC)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)SC)Cl)C

InChI

InChI=1S/C20H22ClNO5S/c1-6-26-20(25)16-10(2)17(22-11(16)3)18(23)12(4)27-19(24)14-9-13(28-5)7-8-15(14)21/h7-9,12,22H,6H2,1-5H3