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

Systemtic Name: propan-2-yl 5-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-[(2-fluorophenyl)methylthio]ethylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(2-fluorobenzyl)thio]ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C20H25FN2O3S MolecularWeight: 392.487503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCCSCC2=CC=CC=C2F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCCSCC2=CC=CC=C2F

InChI

InChI=1S/C20H25FN2O3S/c1-12(2)26-20(25)17-13(3)18(23-14(17)4)19(24)22-9-10-27-11-15-7-5-6-8-16(15)21/h5-8,12,23H,9-11H2,1-4H3,(H,22,24)