2-[2-oxidanylidene-2-[[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]amino]ethyl]sulfinylethyl propanoate

Systemtic Name: 2-[2-oxidanylidene-2-[[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]amino]ethyl]sulfinylethyl propanoate Openeye Name: 2-[2-oxo-2-[[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]amino]ethyl]sulfinylethyl propanoate CAS Name: propanoic acid 2-[2-oxo-2-[[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]ethyl]sulfinylethyl ester IUPAC Name: 2-[2-oxo-2-[[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]amino]ethyl]sulfinylethyl propanoate Traditional Name: propionic acid 2-[2-keto-2-[[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]amino]ethyl]sulfinylethyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCS(=O)CC(=O)NCC=CCOC1=NC=CC(=C1)CN2CCCCC2

Isomeric SMILES

CCC(=O)OCCS(=O)CC(=O)NC/C=C/COC1=NC=CC(=C1)CN2CCCCC2

InChI

InChI=1S/C22H33N3O5S/c1-2-22(27)30-14-15-31(28)18-20(26)23-9-4-7-13-29-21-16-19(8-10-24-21)17-25-11-5-3-6-12-25/h4,7-8,10,16H,2-3,5-6,9,11-15,17-18H2,1H3,(H,23,26)/b7-4+