3-[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]propanethioic S-acid

Systemtic Name: 3-[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]propanethioic S-acid Openeye Name: 3-[4-cyano-2-[2-(1-naphthyl)propanoylamino]phenyl]propanethioic S-acid CAS Name: 3-[4-cyano-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]propanethioic S-acid IUPAC Name: 3-[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]propanethioic S-acid Traditional Name: 3-[4-cyano-2-[2-(1-naphthyl)propanoylamino]phenyl]thiopropionic acid Formula: C23H20N2O2S MolecularWeight: 388.4821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CCC(=O)S

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CCC(=O)S

InChI

InChI=1S/C23H20N2O2S/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)23(27)25-21-13-16(14-24)9-10-18(21)11-12-22(26)28/h2-10,13,15H,11-12H2,1H3,(H,25,27)(H,26,28)