2-[[5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(3-pyrrolidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid Formula: C14H15N3O5S2 MolecularWeight: 369.416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC(=O)O

InChI

InChI=1S/C14H15N3O5S2/c18-12(19)9-23-14-16-15-13(22-14)10-4-3-5-11(8-10)24(20,21)17-6-1-2-7-17/h3-5,8H,1-2,6-7,9H2,(H,18,19)