methyl 3-(5-fluoranyl-1,3-benzothiazol-2-yl)-2-(2-methoxy-4-oxidanyl-3,4-dihydro-2H-chromen-3-yl)benzoate

Systemtic Name: methyl 3-(5-fluoranyl-1,3-benzothiazol-2-yl)-2-(2-methoxy-4-oxidanyl-3,4-dihydro-2H-chromen-3-yl)benzoate Openeye Name: methyl 3-(5-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxy-2-methoxy-chroman-3-yl)benzoate CAS Name: 3-(5-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxy-2-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)benzoic acid methyl ester IUPAC Name: methyl 3-(5-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxy-2-methoxy-3,4-dihydro-2H-chromen-3-yl)benzoate Traditional Name: 3-(5-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxy-2-methoxy-chroman-3-yl)benzoic acid methyl ester Formula: C25H20FNO5S MolecularWeight: 465.493403

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C2=CC=CC=C2O1)O)C3=C(C=CC=C3C(=O)OC)C4=NC5=C(S4)C=CC(=C5)F

Isomeric SMILES

COC1C(C(C2=CC=CC=C2O1)O)C3=C(C=CC=C3C(=O)OC)C4=NC5=C(S4)C=CC(=C5)F

InChI

InChI=1S/C25H20FNO5S/c1-30-24(29)16-8-5-7-15(23-27-17-12-13(26)10-11-19(17)33-23)20(16)21-22(28)14-6-3-4-9-18(14)32-25(21)31-2/h3-12,21-22,25,28H,1-2H3