2-(4-butoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: 2-(4-butoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 2-(4-butoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-(7-methoxybenzofuran-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-(4-butoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2H-pyrrol-5-one IUPAC Name: 2-(4-butoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(4-butoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-2-one Formula: C33H30N2O6S MolecularWeight: 582.6661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C5=CC6=C(O5)C(=CC=C6)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C5=CC6=C(O5)C(=CC=C6)OC

InChI

InChI=1S/C33H30N2O6S/c1-5-6-14-40-22-12-10-20(11-13-22)28-26(29(36)24-17-21-8-7-9-23(39-4)31(21)41-24)30(37)32(38)35(28)33-34-27-19(3)15-18(2)16-25(27)42-33/h7-13,15-17,28,37H,5-6,14H2,1-4H3