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

Systemtic Name: [(2Z)-2-[[3-bromanyl-4,5-bis(oxidanyl)phenyl]methylidene]-4-oxidanyl-3-oxidanylidene-1-benzothiophen-7-yl] piperidine-1-carboxylate Openeye Name: [(2Z)-2-[(3-bromo-4,5-dihydroxy-phenyl)methylene]-4-hydroxy-3-oxo-benzothiophen-7-yl] piperidine-1-carboxylate CAS Name: 1-piperidinecarboxylic acid [(2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-4-hydroxy-3-oxo-1-benzothiophen-7-yl] ester IUPAC Name: [(2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-4-hydroxy-3-oxo-1-benzothiophen-7-yl] piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid [(2Z)-2-(3-bromo-4,5-dihydroxy-benzylidene)-4-hydroxy-3-keto-benzothiophen-7-yl] ester Formula: C21H18BrNO6S MolecularWeight: 492.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)OC2=C3C(=C(C=C2)O)C(=O)C(=CC4=CC(=C(C(=C4)Br)O)O)S3

Isomeric SMILES

C1CCN(CC1)C(=O)OC2=C3C(=C(C=C2)O)C(=O)/C(=C/C4=CC(=C(C(=C4)Br)O)O)/S3

InChI

InChI=1S/C21H18BrNO6S/c22-12-8-11(9-14(25)18(12)26)10-16-19(27)17-13(24)4-5-15(20(17)30-16)29-21(28)23-6-2-1-3-7-23/h4-5,8-10,24-26H,1-3,6-7H2/b16-10-