methyl 4-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-1H-pyrrole-2-carboxylate CAS Name: 4-[[[4-(difluoromethylthio)phenyl]-oxomethyl]amino]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-1H-pyrrole-2-carboxylate Traditional Name: 4-[[4-(difluoromethylthio)benzoyl]amino]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C14H12F2N2O3S MolecularWeight: 326.318486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)NC(=O)C2=CC=C(C=C2)SC(F)F

Isomeric SMILES

COC(=O)C1=CC(=CN1)NC(=O)C2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C14H12F2N2O3S/c1-21-13(20)11-6-9(7-17-11)18-12(19)8-2-4-10(5-3-8)22-14(15)16/h2-7,14,17H,1H3,(H,18,19)