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

Systemtic Name: [(2Z)-4-methoxy-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzothiophen-7-yl] piperidine-1-carboxylate Openeye Name: [(2Z)-4-methoxy-3-oxo-2-(4-pyridylmethylene)benzothiophen-7-yl] piperidine-1-carboxylate CAS Name: 1-piperidinecarboxylic acid [(2Z)-4-methoxy-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzothiophen-7-yl] ester IUPAC Name: [(2Z)-4-methoxy-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzothiophen-7-yl] piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid [(2Z)-3-keto-4-methoxy-2-(4-pyridylmethylene)benzothiophen-7-yl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-26-15-5-6-16(27-21(25)23-11-3-2-4-12-23)20-18(15)19(24)17(28-20)13-14-7-9-22-10-8-14/h5-10,13H,2-4,11-12H2,1H3/b17-13-