(6-chloranyl-8-methoxy-3-methyl-9-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ethanoate

Systemtic Name: (6-chloranyl-8-methoxy-3-methyl-9-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ethanoate Openeye Name: (6-chloro-8-methoxy-3-methyl-9-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) acetate CAS Name: acetic acid [6-chloro-8-methoxy-3-methyl-9-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: (6-chloro-8-methoxy-3-methyl-9-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) acetate Traditional Name: acetic acid [6-chloro-8-methoxy-3-methyl-9-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(CCN(CC2)C)C(=C1OC)SC3=CC=CC=C3)Cl

Isomeric SMILES

CC(=O)OC1=C(C2=C(CCN(CC2)C)C(=C1OC)SC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-13(23)25-18-17(21)15-9-11-22(2)12-10-16(15)20(19(18)24-3)26-14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3