2-(furan-3-ylmethylsulfanyl)-N-[(Z)-2-oxidanyl-4-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]but-2-enyl]ethanamide

Systemtic Name: 2-(furan-3-ylmethylsulfanyl)-N-[(Z)-2-oxidanyl-4-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]but-2-enyl]ethanamide Openeye Name: 2-(3-furylmethylsulfanyl)-N-[(Z)-2-hydroxy-4-[4-(pyrrolidin-1-ylmethyl)-2-pyridyl]but-2-enyl]acetamide CAS Name: 2-(3-furanylmethylthio)-N-[(Z)-2-hydroxy-4-[4-(1-pyrrolidinylmethyl)-2-pyridinyl]but-2-enyl]acetamide IUPAC Name: 2-(furan-3-ylmethylsulfanyl)-N-[(Z)-2-hydroxy-4-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]but-2-enyl]acetamide Traditional Name: 2-(3-furfurylthio)-N-[(Z)-2-hydroxy-4-[4-(pyrrolidinomethyl)-2-pyridyl]but-2-enyl]acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=NC=C2)CC=C(CNC(=O)CSCC3=COC=C3)O

Isomeric SMILES

C1CCN(C1)CC2=CC(=NC=C2)C/C=C(/CNC(=O)CSCC3=COC=C3)\O

InChI

InChI=1S/C21H27N3O3S/c25-20(12-23-21(26)16-28-15-18-6-10-27-14-18)4-3-19-11-17(5-7-22-19)13-24-8-1-2-9-24/h4-7,10-11,14,25H,1-3,8-9,12-13,15-16H2,(H,23,26)/b20-4-