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

Systemtic Name: 4-[[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol Openeye Name: 4-[[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol CAS Name: 4-[[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol IUPAC Name: 4-[[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol Traditional Name: 4-[[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=C(C=C3)O)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=C(C=C3)O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C24H25NO3S/c1-27-23-14-19(18-5-9-22(29-2)10-6-18)13-20-16-25(11-12-28-24(20)23)15-17-3-7-21(26)8-4-17/h3-10,13-14,26H,11-12,15-16H2,1-2H3