cyclobutyl-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: cyclobutyl-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: cyclobutyl-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: cyclobutyl-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: cyclobutyl-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: cyclobutyl-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)C3CCC3)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)C3CCC3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C22H25NO3S/c1-25-20-13-17(15-6-8-19(27-2)9-7-15)12-18-14-23(10-11-26-21(18)20)22(24)16-4-3-5-16/h6-9,12-13,16H,3-5,10-11,14H2,1-2H3