2-[[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[4-cyano-2-[2-(1-naphthyl)propanoylamino]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[4-cyano-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]methylthio]acetic acid IUPAC Name: 2-[[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[4-cyano-2-[2-(1-naphthyl)propanoylamino]benzyl]thio]acetic acid Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O3S/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)23(28)25-21-11-16(12-24)9-10-18(21)13-29-14-22(26)27/h2-11,15H,13-14H2,1H3,(H,25,28)(H,26,27)