(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4

InChI

InChI=1S/C18H17N3O5S2/c22-18(25-11-16-19-17(26-20-16)14-7-10-27-12-14)13-3-5-15(6-4-13)28(23,24)21-8-1-2-9-21/h3-7,10,12H,1-2,8-9,11H2