(E)-3-(3-chloranyl-4-sulfanyl-phenyl)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-4-sulfanyl-phenyl)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]prop-2-enamide Openeye Name: (E)-3-(3-chloro-4-sulfanyl-phenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide CAS Name: (E)-3-(3-chloro-4-mercaptophenyl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-4-sulfanylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide Traditional Name: (E)-3-(3-chloro-4-mercapto-phenyl)-N-[3-(2-ketopyrrolidino)propyl]acrylamide Formula: C16H19ClN2O2S MolecularWeight: 338.85226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C=CC2=CC(=C(C=C2)S)Cl

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)/C=C/C2=CC(=C(C=C2)S)Cl

InChI

InChI=1S/C16H19ClN2O2S/c17-13-11-12(4-6-14(13)22)5-7-15(20)18-8-2-10-19-9-1-3-16(19)21/h4-7,11,22H,1-3,8-10H2,(H,18,20)/b7-5+