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

Systemtic Name: (4E)-5-(4-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[oxidanyl-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-propoxyphenyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-propoxyphenyl)methylene]pyrrolidine-2,3-quinone Formula: C29H25ClN2O4S MolecularWeight: 533.0378

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC=C(C=C5)Cl)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC=C(C=C5)Cl)/O

InChI

InChI=1S/C29H25ClN2O4S/c1-4-12-36-21-7-5-6-19(15-21)26(33)23-25(18-8-10-20(30)11-9-18)32(28(35)27(23)34)29-31-24-17(3)13-16(2)14-22(24)37-29/h5-11,13-15,25,33H,4,12H2,1-3H3/b26-23+