methyl 4-[1-(4,6-dimethyl-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-(4,6-dimethyl-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-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-(4,6-dimethyl-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-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-5-keto-3-(5-methyl-2-furoyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C27H22N2O6S MolecularWeight: 502.53838

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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(C=C(C=C5S4)C)C)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(C=C(C=C5S4)C)C)O

InChI

InChI=1S/C27H22N2O6S/c1-13-11-14(2)21-19(12-13)36-27(28-21)29-22(16-6-8-17(9-7-16)26(33)34-4)20(24(31)25(29)32)23(30)18-10-5-15(3)35-18/h5-12,22,31H,1-4H3