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

Systemtic Name: furan-3-yl-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: 3-furyl-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: 3-furanyl-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: furan-3-yl-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: 3-furyl-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4S/c1-25-20-12-17(15-3-5-19(28-2)6-4-15)11-18-13-23(8-10-27-21(18)20)22(24)16-7-9-26-14-16/h3-7,9,11-12,14H,8,10,13H2,1-2H3