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

Systemtic Name: 1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-thienyl)ethanone CAS Name: 1-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-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=CC=CS3)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)CC3=CC=CS3)C4=CC=C(C=C4)SC

InChI

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