2-[1-[(6-phenoxypyridin-3-yl)methyl]pyrrolidin-3-yl]ethanethioic S-acid

Systemtic Name: 2-[1-[(6-phenoxypyridin-3-yl)methyl]pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[1-[(6-phenoxy-3-pyridyl)methyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[1-[(6-phenoxy-3-pyridinyl)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[1-[(6-phenoxypyridin-3-yl)methyl]pyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[1-[(6-phenoxy-3-pyridyl)methyl]pyrrolidin-3-yl]thioacetic acid Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CC(=O)S)CC2=CN=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CN(CC1CC(=O)S)CC2=CN=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O2S/c21-18(23)10-14-8-9-20(12-14)13-15-6-7-17(19-11-15)22-16-4-2-1-3-5-16/h1-7,11,14H,8-10,12-13H2,(H,21,23)