(4-cyano-2-fluoranyl-phenyl)methyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenecarboxylic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylic acid (4-cyano-2-fluoro-benzyl) ester Formula: C21H14FNO4S MolecularWeight: 395.403563

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=O)OCC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=O)OCC4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C21H14FNO4S/c22-16-9-13(11-23)1-2-15(16)12-27-21(24)20-6-5-19(28-20)14-3-4-17-18(10-14)26-8-7-25-17/h1-6,9-10H,7-8,12H2