(4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-pyridin-3-yl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C29H27N3O5S MolecularWeight: 529.60678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)OCC)C5=CN=CC=C5)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)OCC)C5=CN=CC=C5)/O

InChI

InChI=1S/C29H27N3O5S/c1-3-5-14-37-20-10-6-8-18(15-20)26(33)24-25(19-9-7-13-30-17-19)32(28(35)27(24)34)29-31-22-12-11-21(36-4-2)16-23(22)38-29/h6-13,15-17,25,33H,3-5,14H2,1-2H3/b26-24+