(4E)-5-(3,4-diethoxyphenyl)-1-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-[oxidanyl-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(3,4-diethoxyphenyl)-1-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-[oxidanyl-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3,4-diethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(3,4-diethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3,4-diethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3,4-diethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylene]pyrrolidine-2,3-quinone Formula: C31H29FN2O6S MolecularWeight: 576.635163

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=CC(=C(C=C5)OCC)OCC)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=CC(=C(C=C5)OCC)OCC)/O

InChI

InChI=1S/C31H29FN2O6S/c1-4-15-40-21-11-7-18(8-12-21)28(35)26-27(19-9-14-23(38-5-2)24(16-19)39-6-3)34(30(37)29(26)36)31-33-22-13-10-20(32)17-25(22)41-31/h7-14,16-17,27,35H,4-6,15H2,1-3H3/b28-26+