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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCOC1=CC=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

InChI

InChI=1S/C33H32N2O4S/c1-4-5-9-18-39-25-15-13-24(14-16-25)30-28(26(36)17-12-23-10-7-6-8-11-23)31(37)32(38)35(30)33-34-29-22(3)19-21(2)20-27(29)40-33/h6-8,10-17,19-20,30,37H,4-5,9,18H2,1-3H3/b17-12+