[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-furancarboxylic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)furan-2-carboxylic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H14FNO5S MolecularWeight: 411.402963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C21H14FNO5S/c1-26-16-7-6-12(10-13(16)22)15(24)11-27-21(25)18-9-8-17(28-18)20-23-14-4-2-3-5-19(14)29-20/h2-10H,11H2,1H3