ethyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[2-[(2-fluorophenyl)methylthio]ethylamino]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(2-fluorobenzyl)thio]ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H23FN2O3S MolecularWeight: 378.460923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCCSCC2=CC=CC=C2F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCCSCC2=CC=CC=C2F)C

InChI

InChI=1S/C19H23FN2O3S/c1-4-25-19(24)17-12(2)16(13(3)22-17)18(23)21-9-10-26-11-14-7-5-6-8-15(14)20/h5-8,22H,4,9-11H2,1-3H3,(H,21,23)