2-(4-hexoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

Systemtic Name: 2-(4-hexoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 2-(4-hexoxyphenyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 2-(4-hexoxyphenyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-5-one IUPAC Name: 2-(4-hexoxyphenyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 5-(4-hexoxyphenyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C33H32N2O4S MolecularWeight: 552.68318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)C)O)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)C)O)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C33H32N2O4S/c1-3-4-5-9-20-39-25-16-14-24(15-17-25)30-29(27(36)19-13-23-10-7-6-8-11-23)31(37)32(38)35(30)33-34-26-18-12-22(2)21-28(26)40-33/h6-8,10-19,21,30,37H,3-5,9,20H2,1-2H3/b19-13+