(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 2-[(4-ethoxyphenyl)sulfonylamino]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 2-[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-(p-phenetylsulfonylamino)benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H19N3O6S2 MolecularWeight: 485.53276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C22H19N3O6S2/c1-2-29-16-7-9-17(10-8-16)33(27,28)25-19-6-4-3-5-18(19)22(26)30-13-20-23-21(24-31-20)15-11-12-32-14-15/h3-12,14,25H,2,13H2,1H3