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

Systemtic Name: 7-(3-chlorophenyl)-5-ethyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one Openeye Name: 7-(3-chlorophenyl)-5-ethyl-5-(2-thienyl)-1H-4,1-benzoxazepin-2-one CAS Name: 7-(3-chlorophenyl)-5-ethyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-(3-chlorophenyl)-5-ethyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one Traditional Name: 7-(3-chlorophenyl)-5-ethyl-5-(2-thienyl)-1H-4,1-benzoxazepin-2-one Formula: C21H18ClNO2S MolecularWeight: 383.89112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC(=CC=C3)Cl)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC(=CC=C3)Cl)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C21H18ClNO2S/c1-2-21(19-7-4-10-26-19)17-12-15(14-5-3-6-16(22)11-14)8-9-18(17)23-20(24)13-25-21/h3-12H,2,13H2,1H3,(H,23,24)