9-methoxy-7-(phenylmethylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 9-methoxy-7-(phenylmethylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 7-benzylsulfanyl-9-methoxy-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 9-methoxy-7-(phenylmethylthio)-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 7-benzylsulfanyl-9-methoxy-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 7-(benzylthio)-9-methoxy-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)OC3=CC=CC=C3NC2=O)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C2C(=C1)OC3=CC=CC=C3NC2=O)SCC4=CC=CC=C4

InChI

InChI=1S/C21H17NO3S/c1-24-15-11-18-20(19(12-15)26-13-14-7-3-2-4-8-14)21(23)22-16-9-5-6-10-17(16)25-18/h2-12H,13H2,1H3,(H,22,23)