methyl 4-[1-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-5-keto-3-(5-methyl-2-furoyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C25H17FN2O6S MolecularWeight: 492.475683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(=O)OC)C4=NC5=C(S4)C=C(C=C5)F)O

Isomeric SMILES

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(=O)OC)C4=NC5=C(S4)C=C(C=C5)F)O

InChI

InChI=1S/C25H17FN2O6S/c1-12-3-10-17(34-12)21(29)19-20(13-4-6-14(7-5-13)24(32)33-2)28(23(31)22(19)30)25-27-16-9-8-15(26)11-18(16)35-25/h3-11,20,30H,1-2H3