(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H19N3O6S2 MolecularWeight: 449.50066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H19N3O6S2/c1-26-15-5-4-13(10-16(15)30(24,25)22-7-2-3-8-22)19(23)27-11-17-20-18(21-28-17)14-6-9-29-12-14/h4-6,9-10,12H,2-3,7-8,11H2,1H3