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

Systemtic Name: furan-2-yl-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: 2-furyl-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: 2-furanyl-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: furan-2-yl-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: 2-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=CC=CO3)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)C3=CC=CO3)C4=CC=C(C=C4)SC

InChI

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