1-[2-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]-4-phenyl-pyrrolidin-2-one

Systemtic Name: 1-[2-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]-4-phenyl-pyrrolidin-2-one Openeye Name: 1-[2-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]-4-phenyl-pyrrolidin-2-one CAS Name: 1-[2-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenyl-2-pyrrolidinone IUPAC Name: 1-[2-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one Traditional Name: 1-[2-keto-2-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-phenyl-2-pyrrolidone Formula: C29H30N2O4S MolecularWeight: 502.6245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)CN3CC(CC3=O)C4=CC=CC=C4)C5=CC=C(C=C5)SC

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)CN3CC(CC3=O)C4=CC=CC=C4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C29H30N2O4S/c1-34-26-15-22(21-8-10-25(36-2)11-9-21)14-24-18-30(12-13-35-29(24)26)28(33)19-31-17-23(16-27(31)32)20-6-4-3-5-7-20/h3-11,14-15,23H,12-13,16-19H2,1-2H3