(1,3-diphenylpyrazol-4-yl)methyl 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanoate CAS Name: 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate Traditional Name: 3-[2-keto-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propionic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)CCN3C(=O)OC(=N3)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)CCN3C(=O)OC(=N3)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O4S/c30-22(13-14-28-25(31)33-24(27-28)21-12-7-15-34-21)32-17-19-16-29(20-10-5-2-6-11-20)26-23(19)18-8-3-1-4-9-18/h1-12,15-16H,13-14,17H2