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

Systemtic Name: [7-acetyloxy-5-(3-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl] ethanoate Openeye Name: [7-acetoxy-5-(3-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl] acetate CAS Name: acetic acid [7-acetyloxy-5-[3-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl] ester IUPAC Name: [7-acetyloxy-5-(3-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl] acetate Traditional Name: acetic acid [7-acetoxy-5-[3-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(CNCCC2=C1)C3=CC(=CC=C3)SC)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C2C(CNCCC2=C1)C3=CC(=CC=C3)SC)OC(=O)C

InChI

InChI=1S/C21H23NO4S/c1-13(23)25-20-10-16-7-8-22-12-19(15-5-4-6-17(9-15)27-3)18(16)11-21(20)26-14(2)24/h4-6,9-11,19,22H,7-8,12H2,1-3H3