(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[(2,5-dimethoxyphenyl)amino]ethylidene]-5-methylidene-pyrazolidin-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[(2,5-dimethoxyphenyl)amino]ethylidene]-5-methylidene-pyrazolidin-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2,5-dimethoxyanilino)ethylidene]-5-methylene-pyrazolidin-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2,5-dimethoxyanilino)ethylidene]-5-methylene-3-pyrazolidinone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2,5-dimethoxyanilino)ethylidene]-5-methylidenepyrazolidin-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2,5-dimethoxyanilino)ethylidene]-5-methylene-pyrazolidin-3-one Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=C)NN(C1=O)C2=NC3=CC=CC=C3S2)NC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

C/C(=C\1/C(=C)NN(C1=O)C2=NC3=CC=CC=C3S2)/NC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C21H20N4O3S/c1-12(22-16-11-14(27-3)9-10-17(16)28-4)19-13(2)24-25(20(19)26)21-23-15-7-5-6-8-18(15)29-21/h5-11,22,24H,2H2,1,3-4H3/b19-12+