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

Systemtic Name: S-[1-[[6-(4-fluoranylphenoxy)pyridin-3-yl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate Openeye Name: S-[1-[[6-(4-fluorophenoxy)-3-pyridyl]methyl]-5-oxo-pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-oxo-3-pyrrolidinyl] ester IUPAC Name: S-[1-[[6-(4-fluorophenoxy)pyridin-3-yl]methyl]-5-oxopyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[[6-(4-fluorophenoxy)-3-pyridyl]methyl]-5-keto-pyrrolidin-3-yl] ester Formula: C18H17FN2O3S MolecularWeight: 360.402583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1)CC2=CN=C(C=C2)OC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1)CC2=CN=C(C=C2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN2O3S/c1-12(22)25-16-8-18(23)21(11-16)10-13-2-7-17(20-9-13)24-15-5-3-14(19)4-6-15/h2-7,9,16H,8,10-11H2,1H3