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

Systemtic Name: [(2Z)-2-[[3,4-bis(oxidanyl)phenyl]methylidene]-4-methoxy-3-oxidanylidene-1-benzothiophen-7-yl] piperidine-1-carboxylate Openeye Name: [(2Z)-2-[(3,4-dihydroxyphenyl)methylene]-4-methoxy-3-oxo-benzothiophen-7-yl] piperidine-1-carboxylate CAS Name: 1-piperidinecarboxylic acid [(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4-methoxy-3-oxo-1-benzothiophen-7-yl] ester IUPAC Name: [(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4-methoxy-3-oxo-1-benzothiophen-7-yl] piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid [(2Z)-2-(3,4-dihydroxybenzylidene)-3-keto-4-methoxy-benzothiophen-7-yl] ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC(=O)N3CCCCC3)SC(=CC4=CC(=C(C=C4)O)O)C2=O

Isomeric SMILES

COC1=C2C(=C(C=C1)OC(=O)N3CCCCC3)S/C(=C\C4=CC(=C(C=C4)O)O)/C2=O

InChI

InChI=1S/C22H21NO6S/c1-28-16-7-8-17(29-22(27)23-9-3-2-4-10-23)21-19(16)20(26)18(30-21)12-13-5-6-14(24)15(25)11-13/h5-8,11-12,24-25H,2-4,9-10H2,1H3/b18-12-