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

Systemtic Name: 7-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one Openeye Name: 7-(3-chloro-4-fluoro-phenyl)-5-methyl-5-(2-thienyl)-1H-4,1-benzoxazepin-2-one CAS Name: 7-(3-chloro-4-fluorophenyl)-5-methyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-(3-chloro-4-fluorophenyl)-5-methyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one Traditional Name: 7-(3-chloro-4-fluoro-phenyl)-5-methyl-5-(2-thienyl)-1H-4,1-benzoxazepin-2-one Formula: C20H15ClFNO2S MolecularWeight: 387.855003

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)F)Cl)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)F)Cl)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C20H15ClFNO2S/c1-20(18-3-2-8-26-18)14-9-12(13-4-6-16(22)15(21)10-13)5-7-17(14)23-19(24)11-25-20/h2-10H,11H2,1H3,(H,23,24)