[(2Z)-2-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-4-oxidanyl-3-oxidanylidene-1-benzothiophen-7-yl] piperidine-1-carboxylate

Systemtic Name: [(2Z)-2-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-4-oxidanyl-3-oxidanylidene-1-benzothiophen-7-yl] piperidine-1-carboxylate Openeye Name: [(2Z)-2-[(3-bromo-4,5-dimethoxy-phenyl)methylene]-4-hydroxy-3-oxo-benzothiophen-7-yl] piperidine-1-carboxylate CAS Name: 1-piperidinecarboxylic acid [(2Z)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-4-hydroxy-3-oxo-1-benzothiophen-7-yl] ester IUPAC Name: [(2Z)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-4-hydroxy-3-oxo-1-benzothiophen-7-yl] piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid [(2Z)-2-(3-bromo-4,5-dimethoxy-benzylidene)-4-hydroxy-3-keto-benzothiophen-7-yl] ester Formula: C23H22BrNO6S MolecularWeight: 520.39288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)C3=C(C=CC(=C3S2)OC(=O)N4CCCCC4)O)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=O)C3=C(C=CC(=C3S2)OC(=O)N4CCCCC4)O)Br)OC

InChI

InChI=1S/C23H22BrNO6S/c1-29-17-11-13(10-14(24)21(17)30-2)12-18-20(27)19-15(26)6-7-16(22(19)32-18)31-23(28)25-8-4-3-5-9-25/h6-7,10-12,26H,3-5,8-9H2,1-2H3/b18-12-