(5S)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-oxidanyl-methylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione

Systemtic Name: (5S)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-oxidanyl-methylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Openeye Name: (5S)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-hydroxy-methylene]-1-(6-ethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (5S)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (5S)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (5S)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-hydroxy-methylene]-1-(6-ethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C30H27ClN2O3S MolecularWeight: 531.06498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)Cl)O)C(=O)C3=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3[C@H](C(=C(C4=CC=C(C=C4)Cl)O)C(=O)C3=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C30H27ClN2O3S/c1-5-17-6-15-22-23(16-17)37-29(32-22)33-25(18-7-11-20(12-8-18)30(2,3)4)24(27(35)28(33)36)26(34)19-9-13-21(31)14-10-19/h6-16,25,34H,5H2,1-4H3/t25-/m0/s1