(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)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-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=NC(=NO2)C3=CSC=C3)OCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=NC(=NO2)C3=CSC=C3)OCC(=O)N

InChI

InChI=1S/C16H13N3O5S/c17-13(20)7-22-12-3-1-10(2-4-12)16(21)23-8-14-18-15(19-24-14)11-5-6-25-9-11/h1-6,9H,7-8H2,(H2,17,20)