(8-acetyloxy-3-ethanoyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ethanoate

Systemtic Name: (8-acetyloxy-3-ethanoyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ethanoate Openeye Name: (8-acetoxy-3-acetyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) acetate CAS Name: acetic acid [3-acetyl-8-acetyloxy-9-(methylthio)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: (3-acetyl-8-acetyloxy-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) acetate Traditional Name: acetic acid [8-acetoxy-3-acetyl-9-(methylthio)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C23H25NO5S MolecularWeight: 427.5133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)C)OC(=O)C)SC

Isomeric SMILES

CC(=O)N1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)C)OC(=O)C)SC

InChI

InChI=1S/C23H25NO5S/c1-14(25)24-11-10-18-19(20(13-24)17-8-6-5-7-9-17)12-21(28-15(2)26)22(23(18)30-4)29-16(3)27/h5-9,12,20H,10-11,13H2,1-4H3