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

Systemtic Name: cyclopropyl-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: cyclopropyl-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: cyclopropyl-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: cyclopropyl-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: cyclopropyl-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)C3CC3)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)C3CC3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C21H23NO3S/c1-24-19-12-16(14-5-7-18(26-2)8-6-14)11-17-13-22(9-10-25-20(17)19)21(23)15-3-4-15/h5-8,11-12,15H,3-4,9-10,13H2,1-2H3