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

Systemtic Name: [(2Z)-4-methoxy-3-oxidanylidene-2-(phenylmethylidene)-1-benzothiophen-7-yl] piperidine-1-carboxylate Openeye Name: [(2Z)-2-benzylidene-4-methoxy-3-oxo-benzothiophen-7-yl] piperidine-1-carboxylate CAS Name: 1-piperidinecarboxylic acid [(2Z)-4-methoxy-3-oxo-2-(phenylmethylene)-1-benzothiophen-7-yl] ester IUPAC Name: [(2Z)-2-benzylidene-4-methoxy-3-oxo-1-benzothiophen-7-yl] piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid [(2Z)-2-benzal-3-keto-4-methoxy-benzothiophen-7-yl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4S/c1-26-16-10-11-17(27-22(25)23-12-6-3-7-13-23)21-19(16)20(24)18(28-21)14-15-8-4-2-5-9-15/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3/b18-14-