methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[3-(benzofuran-2-carbonyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[3-[2-benzofuranyl(oxo)methyl]-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-benzofuran-2-carbonyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[3-(benzofuran-2-carbonyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-5-keto-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C28H17ClN2O6S MolecularWeight: 544.96238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)Cl)O)C(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)Cl)O)C(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C28H17ClN2O6S/c1-36-27(35)15-8-6-14(7-9-15)23-22(24(32)20-12-16-4-2-3-5-19(16)37-20)25(33)26(34)31(23)28-30-18-11-10-17(29)13-21(18)38-28/h2-13,23,33H,1H3