[8-acetyloxy-9-chloranyl-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ethanoate

Systemtic Name: [8-acetyloxy-9-chloranyl-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ethanoate Openeye Name: [8-acetoxy-9-chloro-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] acetate CAS Name: acetic acid [8-acetyloxy-9-chloro-5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ester IUPAC Name: [8-acetyloxy-9-chloro-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] acetate Traditional Name: acetic acid [8-acetoxy-9-chloro-5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C2CCNCC(C2=C1)C3=CC=C(C=C3)SC)Cl)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C(=C2CCNCC(C2=C1)C3=CC=C(C=C3)SC)Cl)OC(=O)C

InChI

InChI=1S/C21H22ClNO4S/c1-12(24)26-19-10-17-16(20(22)21(19)27-13(2)25)8-9-23-11-18(17)14-4-6-15(28-3)7-5-14/h4-7,10,18,23H,8-9,11H2,1-3H3