[7-acetyloxy-6-(4-fluorophenyl)sulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ethanoate

Systemtic Name: [7-acetyloxy-6-(4-fluorophenyl)sulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ethanoate Openeye Name: [7-acetoxy-6-(4-fluorophenyl)sulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl] acetate CAS Name: acetic acid [7-acetyloxy-6-[(4-fluorophenyl)thio]-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ester IUPAC Name: [7-acetyloxy-6-(4-fluorophenyl)sulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl] acetate Traditional Name: acetic acid [7-acetoxy-6-[(4-fluorophenyl)thio]-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C2CCN(CCC2=C1)C)SC3=CC=C(C=C3)F)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C(=C2CCN(CCC2=C1)C)SC3=CC=C(C=C3)F)OC(=O)C

InChI

InChI=1S/C21H22FNO4S/c1-13(24)26-19-12-15-8-10-23(3)11-9-18(15)21(20(19)27-14(2)25)28-17-6-4-16(22)5-7-17/h4-7,12H,8-11H2,1-3H3