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

Systemtic Name: 5-[(3-chloranyl-5-ethoxy-4-octoxy-phenyl)methylidene]-2-phenylazanyl-1,3-thiazol-4-one Openeye Name: 2-anilino-5-[(3-chloro-5-ethoxy-4-octoxy-phenyl)methylene]thiazol-4-one CAS Name: 2-anilino-5-[(3-chloro-5-ethoxy-4-octoxyphenyl)methylidene]-4-thiazolone IUPAC Name: 2-anilino-5-[(3-chloro-5-ethoxy-4-octoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-anilino-5-(3-chloro-5-ethoxy-4-octoxy-benzylidene)-2-thiazolin-4-one Formula: C26H31ClN2O3S MolecularWeight: 487.05394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1Cl)C=C2C(=O)N=C(S2)NC3=CC=CC=C3)OCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1Cl)C=C2C(=O)N=C(S2)NC3=CC=CC=C3)OCC

InChI

InChI=1S/C26H31ClN2O3S/c1-3-5-6-7-8-12-15-32-24-21(27)16-19(17-22(24)31-4-2)18-23-25(30)29-26(33-23)28-20-13-10-9-11-14-20/h9-11,13-14,16-18H,3-8,12,15H2,1-2H3,(H,28,29,30)