methyl 4-[1-(6-methoxy-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-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[4-hydroxy-5-keto-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methyl-2-furoyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C26H20N2O7S MolecularWeight: 504.5112

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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)OC)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)OC)O

InChI

InChI=1S/C26H20N2O7S/c1-13-4-11-18(35-13)22(29)20-21(14-5-7-15(8-6-14)25(32)34-3)28(24(31)23(20)30)26-27-17-10-9-16(33-2)12-19(17)36-26/h4-12,21,30H,1-3H3