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

Systemtic Name: 1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thienyl)ethanone CAS Name: 1-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thienyl)ethanone Formula: C23H23NO3S2 MolecularWeight: 425.56362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO3S2/c1-26-21-13-18(17-3-5-20(28-2)6-4-17)12-19-14-24(8-9-27-23(19)21)22(25)11-16-7-10-29-15-16/h3-7,10,12-13,15H,8-9,11,14H2,1-2H3