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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)SC

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C26H25NO5S/c1-29-24-14-19(18-4-6-21(33-2)7-5-18)13-20-15-27(9-10-30-26(20)24)25(28)12-17-3-8-22-23(11-17)32-16-31-22/h3-8,11,13-14H,9-10,12,15-16H2,1-2H3