2-(ethanoylsulfanylmethyl)-3-phenyl-butanoate; 1-naphthalen-1-ylethylazanium

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-phenyl-butanoate; 1-naphthalen-1-ylethylazanium Openeye Name: 2-(acetylsulfanylmethyl)-3-phenyl-butanoate; 1-(1-naphthyl)ethylammonium CAS Name: 2-[(acetylthio)methyl]-3-phenylbutanoate; 1-(1-naphthalenyl)ethylammonium IUPAC Name: 2-(acetylsulfanylmethyl)-3-phenylbutanoate; 1-naphthalen-1-ylethylazanium Traditional Name: 2-[(acetylthio)methyl]-3-phenyl-butyrate; 1-(1-naphthyl)ethylammonium Formula: C25H29NO3S MolecularWeight: 423.56766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)[O-].CC(C1=CC=CC2=CC=CC=C21)[NH3+]

Isomeric SMILES

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)[O-].CC(C1=CC=CC2=CC=CC=C21)[NH3+]

InChI

InChI=1S/C13H16O3S.C12H13N/c1-9(11-6-4-3-5-7-11)12(13(15)16)8-17-10(2)14;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h3-7,9,12H,8H2,1-2H3,(H,15,16);2-9H,13H2,1H3