[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C19H19F2N3O3S MolecularWeight: 407.434266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(N=CC=C3)SC(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(N=CC=C3)SC(F)F

InChI

InChI=1S/C19H19F2N3O3S/c20-19(21)28-17-15(7-4-8-22-17)18(26)27-13-16(25)24-11-9-23(10-12-24)14-5-2-1-3-6-14/h1-8,19H,9-13H2