1-naphthalen-2-ylethanamine; (3S)-3-thiophen-2-ylsulfanylbutanoic acid

Systemtic Name: 1-naphthalen-2-ylethanamine; (3S)-3-thiophen-2-ylsulfanylbutanoic acid Openeye Name: 1-(2-naphthyl)ethanamine; (3S)-3-(2-thienylsulfanyl)butanoic acid CAS Name: 1-(2-naphthalenyl)ethanamine; (3S)-3-(thiophen-2-ylthio)butanoic acid IUPAC Name: 1-naphthalen-2-ylethanamine; (3S)-3-thiophen-2-ylsulfanylbutanoic acid Traditional Name: 1-(2-naphthyl)ethylamine; (3S)-3-(2-thienylthio)butyric acid Formula: C20H23NO2S2 MolecularWeight: 373.53212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=CC=CS1.CC(C1=CC2=CC=CC=C2C=C1)N

Isomeric SMILES

C[C@@H](CC(=O)O)SC1=CC=CS1.CC(C1=CC2=CC=CC=C2C=C1)N

InChI

InChI=1S/C12H13N.C8H10O2S2/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;1-6(5-7(9)10)12-8-3-2-4-11-8/h2-9H,13H2,1H3;2-4,6H,5H2,1H3,(H,9,10)/t;6-/m.0/s1