1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxy-4-pentoxy-phenyl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

Systemtic Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxy-4-pentoxy-phenyl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-methoxy-4-pentoxy-phenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-methoxy-4-pentoxyphenyl)-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-5-one IUPAC Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-methoxy-4-pentoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 5-(4-amoxy-3-methoxy-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C34H34N2O5S MolecularWeight: 582.70916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C=CC5=CC=CC=C5)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)/C=C/C5=CC=CC=C5)OC

InChI

InChI=1S/C34H34N2O5S/c1-5-6-10-17-41-26-16-14-24(20-27(26)40-4)31-29(25(37)15-13-23-11-8-7-9-12-23)32(38)33(39)36(31)34-35-30-22(3)18-21(2)19-28(30)42-34/h7-9,11-16,18-20,31,38H,5-6,10,17H2,1-4H3/b15-13+