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

Systemtic Name: 2-[[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[4-isocyano-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]methylthio]acetic acid IUPAC Name: 2-[[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[4-isocyano-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)[N+]#[C-])CSCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CSCC(=O)O

InChI

InChI=1S/C23H20N2O3S/c1-15(19-9-5-7-16-6-3-4-8-20(16)19)23(28)25-21-12-18(24-2)11-10-17(21)13-29-14-22(26)27/h3-12,15H,13-14H2,1H3,(H,25,28)(H,26,27)