S-[[1-[[6-(4-fluoranylphenoxy)pyridin-3-yl]methyl]-5-oxidanylidene-pyrrolidin-3-yl]methyl] carbamothioate

Systemtic Name: S-[[1-[[6-(4-fluoranylphenoxy)pyridin-3-yl]methyl]-5-oxidanylidene-pyrrolidin-3-yl]methyl] carbamothioate Openeye Name: S-[[1-[[6-(4-fluorophenoxy)-3-pyridyl]methyl]-5-oxo-pyrrolidin-3-yl]methyl] carbamothioate CAS Name: carbamothioic acid S-[[1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-oxo-3-pyrrolidinyl]methyl] ester IUPAC Name: S-[[1-[[6-(4-fluorophenoxy)pyridin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methyl] carbamothioate Traditional Name: thiocarbamic acid S-[[1-[[6-(4-fluorophenoxy)-3-pyridyl]methyl]-5-keto-pyrrolidin-3-yl]methyl] ester Formula: C18H18FN3O3S MolecularWeight: 375.417223

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CN=C(C=C2)OC3=CC=C(C=C3)F)CSC(=O)N

Isomeric SMILES

C1C(CN(C1=O)CC2=CN=C(C=C2)OC3=CC=C(C=C3)F)CSC(=O)N

InChI

InChI=1S/C18H18FN3O3S/c19-14-2-4-15(5-3-14)25-16-6-1-12(8-21-16)9-22-10-13(7-17(22)23)11-26-18(20)24/h1-6,8,13H,7,9-11H2,(H2,20,24)