ethyl 1-[4,4-bis(fluoranyl)-1-(1-phenylethyl)-5-sulfanylidene-pyrrolidin-3-yl]cyclopropane-1-carboxylate

Systemtic Name: ethyl 1-[4,4-bis(fluoranyl)-1-(1-phenylethyl)-5-sulfanylidene-pyrrolidin-3-yl]cyclopropane-1-carboxylate Openeye Name: ethyl 1-[4,4-difluoro-1-(1-phenylethyl)-5-thioxo-pyrrolidin-3-yl]cyclopropanecarboxylate CAS Name: 1-[4,4-difluoro-1-(1-phenylethyl)-5-sulfanylidene-3-pyrrolidinyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4,4-difluoro-1-(1-phenylethyl)-5-sulfanylidenepyrrolidin-3-yl]cyclopropane-1-carboxylate Traditional Name: 1-[4,4-difluoro-1-(1-phenylethyl)-5-thioxo-pyrrolidin-3-yl]cyclopropanecarboxylic acid ethyl ester Formula: C18H21F2NO2S MolecularWeight: 353.426646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1)C2CN(C(=S)C2(F)F)C(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC1)C2CN(C(=S)C2(F)F)C(C)C3=CC=CC=C3

InChI

InChI=1S/C18H21F2NO2S/c1-3-23-16(22)17(9-10-17)14-11-21(15(24)18(14,19)20)12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3