2-(4-butoxy-3-ethoxy-phenyl)-3-(furan-2-ylcarbonyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: 2-(4-butoxy-3-ethoxy-phenyl)-3-(furan-2-ylcarbonyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 2-(4-butoxy-3-ethoxy-phenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one CAS Name: 2-(4-butoxy-3-ethoxyphenyl)-3-[2-furanyl(oxo)methyl]-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one IUPAC Name: 2-(4-butoxy-3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one Traditional Name: 5-(4-butoxy-3-ethoxy-phenyl)-4-(2-furoyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-pyrrolin-2-one Formula: C29H28N2O6S MolecularWeight: 532.60742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)C)O)C(=O)C5=CC=CO5)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)C)O)C(=O)C5=CC=CO5)OCC

InChI

InChI=1S/C29H28N2O6S/c1-4-6-13-36-20-12-10-18(16-22(20)35-5-2)25-24(26(32)21-8-7-14-37-21)27(33)28(34)31(25)29-30-19-11-9-17(3)15-23(19)38-29/h7-12,14-16,25,33H,4-6,13H2,1-3H3