(5-phenyl-1,2-oxazol-3-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (5-phenylisoxazol-3-yl)methyl ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H15NO4S/c20-15(17-7-4-10-24-17)8-9-18(21)22-12-14-11-16(23-19-14)13-5-2-1-3-6-13/h1-7,10-11H,8-9,12H2