7-(3-chloranyl-4-fluoranyl-phenyl)-5-ethyl-5-thiophen-3-yl-1H-4,1-benzoxazepin-2-one

Systemtic Name: 7-(3-chloranyl-4-fluoranyl-phenyl)-5-ethyl-5-thiophen-3-yl-1H-4,1-benzoxazepin-2-one Openeye Name: 7-(3-chloro-4-fluoro-phenyl)-5-ethyl-5-(3-thienyl)-1H-4,1-benzoxazepin-2-one CAS Name: 7-(3-chloro-4-fluorophenyl)-5-ethyl-5-(3-thiophenyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-(3-chloro-4-fluorophenyl)-5-ethyl-5-thiophen-3-yl-1H-4,1-benzoxazepin-2-one Traditional Name: 7-(3-chloro-4-fluoro-phenyl)-5-ethyl-5-(3-thienyl)-1H-4,1-benzoxazepin-2-one Formula: C21H17ClFNO2S MolecularWeight: 401.881583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)F)Cl)NC(=O)CO1)C4=CSC=C4

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)F)Cl)NC(=O)CO1)C4=CSC=C4

InChI

InChI=1S/C21H17ClFNO2S/c1-2-21(15-7-8-27-12-15)16-9-13(14-3-5-18(23)17(22)10-14)4-6-19(16)24-20(25)11-26-21/h3-10,12H,2,11H2,1H3,(H,24,25)