methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-1-(6-methoxy-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-methoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[3-(benzofuran-2-carbonyl)-4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[3-(benzofuran-2-carbonyl)-4-hydroxy-5-keto-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C29H20N2O7S MolecularWeight: 540.5433

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC=C(C=C6)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC=C(C=C6)C(=O)OC

InChI

InChI=1S/C29H20N2O7S/c1-36-18-11-12-19-22(14-18)39-29(30-19)31-24(15-7-9-16(10-8-15)28(35)37-2)23(26(33)27(31)34)25(32)21-13-17-5-3-4-6-20(17)38-21/h3-14,24,33H,1-2H3