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

Systemtic Name: (7-methoxy-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) ethanoate Openeye Name: (7-methoxy-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) acetate CAS Name: acetic acid [7-methoxy-3-methyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ester IUPAC Name: (7-methoxy-3-methyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) acetate Traditional Name: acetic acid [7-methoxy-3-methyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-14(22)24-18-13-15-9-11-21(2)12-10-17(15)20(19(18)23-3)25-16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3