prop-2-enyl 4-ethanoylsulfanyl-2-[(E)-2-pyridin-3-ylethenyl]pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 4-ethanoylsulfanyl-2-[(E)-2-pyridin-3-ylethenyl]pyrrolidine-1-carboxylate Openeye Name: allyl 4-acetylsulfanyl-2-[(E)-2-(3-pyridyl)vinyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[(E)-2-(3-pyridinyl)ethenyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-acetylsulfanyl-2-[(E)-2-pyridin-3-ylethenyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[(E)-2-(3-pyridyl)vinyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC=C)C=CC2=CN=CC=C2

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC=C)/C=C/C2=CN=CC=C2

InChI

InChI=1S/C17H20N2O3S/c1-3-9-22-17(21)19-12-16(23-13(2)20)10-15(19)7-6-14-5-4-8-18-11-14/h3-8,11,15-16H,1,9-10,12H2,2H3/b7-6+