ethyl 1-ethyl-4-[2-[(5-fluoranyl-2-methoxy-phenyl)methylsulfanyl]ethanoyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-ethyl-4-[2-[(5-fluoranyl-2-methoxy-phenyl)methylsulfanyl]ethanoyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-4-[2-[(5-fluoro-2-methoxy-phenyl)methylsulfanyl]acetyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-4-[2-[(5-fluoro-2-methoxyphenyl)methylthio]-1-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-4-[2-[(5-fluoro-2-methoxy-benzyl)thio]acetyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H26FNO4S MolecularWeight: 407.498843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C(=O)CSCC2=C(C=CC(=C2)F)OC)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)C(=O)CSCC2=C(C=CC(=C2)F)OC)C

InChI

InChI=1S/C21H26FNO4S/c1-6-23-13(3)19(20(14(23)4)21(25)27-7-2)17(24)12-28-11-15-10-16(22)8-9-18(15)26-5/h8-10H,6-7,11-12H2,1-5H3