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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=NC=C2)CC=C(CNC(=O)CSCC3=CC=CO3)O

Isomeric SMILES

C1CCN(C1)CC2=CC(=NC=C2)C/C=C(/CNC(=O)CSCC3=CC=CO3)\O

InChI

InChI=1S/C21H27N3O3S/c25-19(13-23-21(26)16-28-15-20-4-3-11-27-20)6-5-18-12-17(7-8-22-18)14-24-9-1-2-10-24/h3-4,6-8,11-12,25H,1-2,5,9-10,13-16H2,(H,23,26)/b19-6-