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

Systemtic Name: methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[3-(benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[3-[2-benzofuranyl(oxo)methyl]-1-(4,6-dimethyl-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-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[3-(benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-5-keto-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C30H22N2O6S MolecularWeight: 538.57048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC=C(C=C6)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC=C(C=C6)C(=O)OC)C

InChI

InChI=1S/C30H22N2O6S/c1-15-12-16(2)24-22(13-15)39-30(31-24)32-25(17-8-10-18(11-9-17)29(36)37-3)23(27(34)28(32)35)26(33)21-14-19-6-4-5-7-20(19)38-21/h4-14,25,34H,1-3H3