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

Systemtic Name: methyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[2-furanyl(oxo)methyl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-furoyl)-4-hydroxy-5-keto-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C26H20N2O6S MolecularWeight: 488.5118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CO4)C5=CC=C(C=C5)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CO4)C5=CC=C(C=C5)C(=O)OC)C

InChI

InChI=1S/C26H20N2O6S/c1-13-11-14(2)20-18(12-13)35-26(27-20)28-21(15-6-8-16(9-7-15)25(32)33-3)19(23(30)24(28)31)22(29)17-5-4-10-34-17/h4-12,21,30H,1-3H3