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

Systemtic Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one Openeye Name: 2-(3-allyloxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-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-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one IUPAC Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one Traditional Name: 5-(3-allyloxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C31H26N2O4S MolecularWeight: 522.61414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)O)C(=O)C=CC4=CC=CC=C4)C5=CC(=CC=C5)OCC=C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)O)C(=O)/C=C/C4=CC=CC=C4)C5=CC(=CC=C5)OCC=C)C

InChI

InChI=1S/C31H26N2O4S/c1-4-15-37-23-12-8-11-22(18-23)28-26(24(34)14-13-21-9-6-5-7-10-21)29(35)30(36)33(28)31-32-27-20(3)16-19(2)17-25(27)38-31/h4-14,16-18,28,35H,1,15H2,2-3H3/b14-13+