ethyl 4-[(3S)-1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[4-(difluoromethylsulfanyl)phenyl]-2,5-dioxo-pyrrolidin-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[4-(difluoromethylthio)phenyl]-2,5-dioxo-3-pyrrolidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[4-(difluoromethylsulfanyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[4-(difluoromethylthio)phenyl]-2,5-diketo-pyrrolidin-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21F2N3O4S MolecularWeight: 413.438846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C18H21F2N3O4S/c1-2-27-18(26)22-9-7-21(8-10-22)14-11-15(24)23(16(14)25)12-3-5-13(6-4-12)28-17(19)20/h3-6,14,17H,2,7-11H2,1H3/t14-/m0/s1