[(2Z)-2-[(4-bromophenyl)methylidene]-4-methoxy-3-oxidanylidene-1-benzothiophen-7-yl] piperidine-1-carboxylate

Systemtic Name: [(2Z)-2-[(4-bromophenyl)methylidene]-4-methoxy-3-oxidanylidene-1-benzothiophen-7-yl] piperidine-1-carboxylate Openeye Name: [(2Z)-2-[(4-bromophenyl)methylene]-4-methoxy-3-oxo-benzothiophen-7-yl] piperidine-1-carboxylate CAS Name: 1-piperidinecarboxylic acid [(2Z)-2-[(4-bromophenyl)methylidene]-4-methoxy-3-oxo-1-benzothiophen-7-yl] ester IUPAC Name: [(2Z)-2-[(4-bromophenyl)methylidene]-4-methoxy-3-oxo-1-benzothiophen-7-yl] piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid [(2Z)-2-(4-bromobenzylidene)-3-keto-4-methoxy-benzothiophen-7-yl] ester Formula: C22H20BrNO4S MolecularWeight: 474.3675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO4S/c1-27-16-9-10-17(28-22(26)24-11-3-2-4-12-24)21-19(16)20(25)18(29-21)13-14-5-7-15(23)8-6-14/h5-10,13H,2-4,11-12H2,1H3/b18-13-