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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-ethoxy-3-methoxy-benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic 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-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)OC

InChI

InChI=1S/C17H16N2O5S/c1-3-22-13-5-4-11(8-14(13)21-2)17(20)23-9-15-18-16(19-24-15)12-6-7-25-10-12/h4-8,10H,3,9H2,1-2H3