(4E)-1-(2-dimethylaminoethyl)-4-[(2-methyl-4-phenylmethoxy-phenyl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-1-(2-dimethylaminoethyl)-4-[(2-methyl-4-phenylmethoxy-phenyl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(4-benzyloxy-2-methyl-phenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(4-benzoxy-2-methyl-phenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCN(C)C)C4=CC=CS4)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCN(C)C)C4=CC=CS4)/O

InChI

InChI=1S/C27H28N2O4S/c1-18-16-20(33-17-19-8-5-4-6-9-19)11-12-21(18)25(30)23-24(22-10-7-15-34-22)29(14-13-28(2)3)27(32)26(23)31/h4-12,15-16,24,30H,13-14,17H2,1-3H3/b25-23+