4-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methylidene]-2-propylsulfanyl-1,3-thiazol-5-one

Systemtic Name: 4-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methylidene]-2-propylsulfanyl-1,3-thiazol-5-one Openeye Name: 4-[(4-benzyloxy-3-chloro-5-ethoxy-phenyl)methylene]-2-propylsulfanyl-thiazol-5-one CAS Name: 4-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-2-(propylthio)-5-thiazolone IUPAC Name: 4-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-2-propylsulfanyl-1,3-thiazol-5-one Traditional Name: 4-(4-benzoxy-3-chloro-5-ethoxy-benzylidene)-2-(propylthio)-2-thiazolin-5-one Formula: C22H22ClNO3S2 MolecularWeight: 447.99798

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=CC2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3)OCC)C(=O)S1

Isomeric SMILES

CCCSC1=NC(=CC2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3)OCC)C(=O)S1

InChI

InChI=1S/C22H22ClNO3S2/c1-3-10-28-22-24-18(21(25)29-22)12-16-11-17(23)20(19(13-16)26-4-2)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3