(4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-phenylmethoxy-phenyl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione

Systemtic Name: (4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-phenylmethoxy-phenyl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-benzyloxy-3-ethoxy-phenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-1-[5-[(2-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxy-3-ethoxy-phenyl)-1-[5-[(2-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-quinone Formula: C34H27ClN4O5S2 MolecularWeight: 671.18498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=CC=C5Cl)OCC6=CC=CC=C6

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=CC=C5Cl)OCC6=CC=CC=C6

InChI

InChI=1S/C34H27ClN4O5S2/c1-2-43-27-18-23(12-13-26(27)44-19-21-8-4-3-5-9-21)29-28(30(40)22-14-16-36-17-15-22)31(41)32(42)39(29)33-37-38-34(46-33)45-20-24-10-6-7-11-25(24)35/h3-18,29,40H,2,19-20H2,1H3/b30-28+