N-[1-[2-(3-chloranyl-4-sulfanyl-phenyl)prop-2-enoyl]pyrrolidin-3-yl]ethanamide

Systemtic Name: N-[1-[2-(3-chloranyl-4-sulfanyl-phenyl)prop-2-enoyl]pyrrolidin-3-yl]ethanamide Openeye Name: N-[1-[2-(3-chloro-4-sulfanyl-phenyl)prop-2-enoyl]pyrrolidin-3-yl]acetamide CAS Name: N-[1-[2-(3-chloro-4-mercaptophenyl)-1-oxoprop-2-enyl]-3-pyrrolidinyl]acetamide IUPAC Name: N-[1-[2-(3-chloro-4-sulfanylphenyl)prop-2-enoyl]pyrrolidin-3-yl]acetamide Traditional Name: N-[1-[2-(3-chloro-4-mercapto-phenyl)acryloyl]pyrrolidin-3-yl]acetamide Formula: C15H17ClN2O2S MolecularWeight: 324.82568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCN(C1)C(=O)C(=C)C2=CC(=C(C=C2)S)Cl

Isomeric SMILES

CC(=O)NC1CCN(C1)C(=O)C(=C)C2=CC(=C(C=C2)S)Cl

InChI

InChI=1S/C15H17ClN2O2S/c1-9(11-3-4-14(21)13(16)7-11)15(20)18-6-5-12(8-18)17-10(2)19/h3-4,7,12,21H,1,5-6,8H2,2H3,(H,17,19)