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

Systemtic Name: [(2Z)-2-[[3,4-bis(oxidanyl)phenyl]methylidene]-4-oxidanyl-3-oxidanylidene-1-benzothiophen-7-yl] piperidine-1-carboxylate Openeye Name: [(2Z)-2-[(3,4-dihydroxyphenyl)methylene]-4-hydroxy-3-oxo-benzothiophen-7-yl] piperidine-1-carboxylate CAS Name: 1-piperidinecarboxylic acid [(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxy-3-oxo-1-benzothiophen-7-yl] ester IUPAC Name: [(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxy-3-oxo-1-benzothiophen-7-yl] piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid [(2Z)-2-(3,4-dihydroxybenzylidene)-4-hydroxy-3-keto-benzothiophen-7-yl] ester Formula: C21H19NO6S MolecularWeight: 413.44366

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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)O)O)S3

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6S/c23-13-5-4-12(10-15(13)25)11-17-19(26)18-14(24)6-7-16(20(18)29-17)28-21(27)22-8-2-1-3-9-22/h4-7,10-11,23-25H,1-3,8-9H2/b17-11-