(7-acetyloxy-6-cyclohexylsulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) ethanoate

Systemtic Name: (7-acetyloxy-6-cyclohexylsulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) ethanoate Openeye Name: (7-acetoxy-6-cyclohexylsulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) acetate CAS Name: acetic acid [7-acetyloxy-6-(cyclohexylthio)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ester IUPAC Name: (7-acetyloxy-6-cyclohexylsulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) acetate Traditional Name: acetic acid [7-acetoxy-6-(cyclohexylthio)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ester Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C2CCN(CCC2=C1)C)SC3CCCCC3)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C(=C2CCN(CCC2=C1)C)SC3CCCCC3)OC(=O)C

InChI

InChI=1S/C21H29NO4S/c1-14(23)25-19-13-16-9-11-22(3)12-10-18(16)21(20(19)26-15(2)24)27-17-7-5-4-6-8-17/h13,17H,4-12H2,1-3H3