4-[(4-methylsulfanylphenyl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 4-[(4-methylsulfanylphenyl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 4-[(4-methylsulfanylphenyl)methyl]-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 4-[[4-(methylthio)phenyl]methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 4-[(4-methylsulfanylphenyl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 4-[4-(methylthio)benzyl]-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C21H21NO2S2 MolecularWeight: 383.52694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3O)C4=CC=CS4

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3O)C4=CC=CS4

InChI

InChI=1S/C21H21NO2S2/c1-25-18-6-4-15(5-7-18)13-22-8-9-24-21-17(14-22)11-16(12-19(21)23)20-3-2-10-26-20/h2-7,10-12,23H,8-9,13-14H2,1H3