6-[2-(4-chloranyl-3-fluoranyl-phenyl)imino-3-pentan-3-yl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(4-chloranyl-3-fluoranyl-phenyl)imino-3-pentan-3-yl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4-chloro-3-fluoro-phenyl)imino-3-(1-ethylpropyl)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(4-chloro-3-fluorophenyl)imino-3-pentan-3-yl-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-chloro-3-fluorophenyl)imino-3-pentan-3-yl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(4-chloro-3-fluoro-phenyl)imino-3-(1-ethylpropyl)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C22H21ClFN3O2S MolecularWeight: 445.937443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=CSC1=NC2=CC(=C(C=C2)Cl)F)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCC(CC)N1C(=CSC1=NC2=CC(=C(C=C2)Cl)F)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C22H21ClFN3O2S/c1-3-15(4-2)27-19(13-5-8-20-18(9-13)26-21(28)11-29-20)12-30-22(27)25-14-6-7-16(23)17(24)10-14/h5-10,12,15H,3-4,11H2,1-2H3,(H,26,28)