9-butylsulfanyl-7-phenoxy-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 9-butylsulfanyl-7-phenoxy-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 9-butylsulfanyl-7-phenoxy-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 9-(butylthio)-7-phenoxy-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 9-butylsulfanyl-7-phenoxy-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 9-(butylthio)-7-phenoxy-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C2C(=C1)OC3=CC=CC=C3NC2=O)OC4=CC=CC=C4

Isomeric SMILES

CCCCSC1=CC(=C2C(=C1)OC3=CC=CC=C3NC2=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H21NO3S/c1-2-3-13-28-17-14-20(26-16-9-5-4-6-10-16)22-21(15-17)27-19-12-8-7-11-18(19)24-23(22)25/h4-12,14-15H,2-3,13H2,1H3,(H,24,25)