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

Systemtic Name: [8-acetyloxy-9-chloranyl-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ethanoate hydrobromide Openeye Name: [8-acetoxy-9-chloro-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] acetate hydrobromide CAS Name: acetic acid [8-acetyloxy-9-chloro-5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ester hydrobromide IUPAC Name: [8-acetyloxy-9-chloro-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] acetate hydrobromide Traditional Name: acetic acid [8-acetoxy-9-chloro-5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ester hydrobromide Formula: C21H23BrClNO4S MolecularWeight: 500.83362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO4S.BrH/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;1H