ethyl 4-[3-(1,3-benzodioxol-5-yl)-5-thiophen-3-yl-1,2-oxazol-4-yl]-2-fluoranyl-benzoate

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-5-thiophen-3-yl-1,2-oxazol-4-yl]-2-fluoranyl-benzoate Openeye Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-5-(3-thienyl)isoxazol-4-yl]-2-fluoro-benzoate CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-5-(3-thiophenyl)-4-isoxazolyl]-2-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-5-thiophen-3-yl-1,2-oxazol-4-yl]-2-fluorobenzoate Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-5-(3-thienyl)isoxazol-4-yl]-2-fluoro-benzoic acid ethyl ester Formula: C23H16FNO5S MolecularWeight: 437.440243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C2=C(ON=C2C3=CC4=C(C=C3)OCO4)C5=CSC=C5)F

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C2=C(ON=C2C3=CC4=C(C=C3)OCO4)C5=CSC=C5)F

InChI

InChI=1S/C23H16FNO5S/c1-2-27-23(26)16-5-3-13(9-17(16)24)20-21(25-30-22(20)15-7-8-31-11-15)14-4-6-18-19(10-14)29-12-28-18/h3-11H,2,12H2,1H3