2-(2-hydroxyethylsulfanyl)-N-[(E)-4-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]ethanamide

Systemtic Name: 2-(2-hydroxyethylsulfanyl)-N-[(E)-4-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]ethanamide Openeye Name: 2-(2-hydroxyethylsulfanyl)-N-[(E)-4-[[4-(pyrrolidin-1-ylmethyl)-2-pyridyl]oxy]but-2-enyl]acetamide CAS Name: 2-(2-hydroxyethylthio)-N-[(E)-4-[[4-(1-pyrrolidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide IUPAC Name: 2-(2-hydroxyethylsulfanyl)-N-[(E)-4-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]acetamide Traditional Name: 2-(2-hydroxyethylthio)-N-[(E)-4-[[4-(pyrrolidinomethyl)-2-pyridyl]oxy]but-2-enyl]acetamide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=NC=C2)OCC=CCNC(=O)CSCCO

Isomeric SMILES

C1CCN(C1)CC2=CC(=NC=C2)OC/C=C/CNC(=O)CSCCO

InChI

InChI=1S/C18H27N3O3S/c22-10-12-25-15-17(23)19-6-1-4-11-24-18-13-16(5-7-20-18)14-21-8-2-3-9-21/h1,4-5,7,13,22H,2-3,6,8-12,14-15H2,(H,19,23)/b4-1+