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

Systemtic Name: 2-[2-oxidanylidene-2-[[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]amino]ethyl]sulfanylethyl ethanoate Openeye Name: 2-[2-oxo-2-[[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]amino]ethyl]sulfanylethyl acetate CAS Name: acetic acid 2-[[2-oxo-2-[[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]ethyl]thio]ethyl ester IUPAC Name: 2-[2-oxo-2-[[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]amino]ethyl]sulfanylethyl acetate Traditional Name: acetic acid 2-[[2-keto-2-[[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]amino]ethyl]thio]ethyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSCC(=O)NCC=CCOC1=NC=CC(=C1)CN2CCCCC2

Isomeric SMILES

CC(=O)OCCSCC(=O)NC/C=C/COC1=NC=CC(=C1)CN2CCCCC2

InChI

InChI=1S/C21H31N3O4S/c1-18(25)27-13-14-29-17-20(26)22-8-3-6-12-28-21-15-19(7-9-23-21)16-24-10-4-2-5-11-24/h3,6-7,9,15H,2,4-5,8,10-14,16-17H2,1H3,(H,22,26)/b6-3+