1-phenylethanamine; (3R)-3-thiophen-2-ylsulfanylbutanoic acid

Systemtic Name: 1-phenylethanamine; (3R)-3-thiophen-2-ylsulfanylbutanoic acid Openeye Name: 1-phenylethanamine; (3R)-3-(2-thienylsulfanyl)butanoic acid CAS Name: 1-phenylethanamine; (3R)-3-(thiophen-2-ylthio)butanoic acid IUPAC Name: 1-phenylethanamine; (3R)-3-thiophen-2-ylsulfanylbutanoic acid Traditional Name: 1-phenylethylamine; (3R)-3-(2-thienylthio)butyric acid Formula: C16H21NO2S2 MolecularWeight: 323.47344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N.C8H10O2S2/c1-7(9)8-5-3-2-4-6-8;1-6(5-7(9)10)12-8-3-2-4-11-8/h2-7H,9H2,1H3;2-4,6H,5H2,1H3,(H,9,10)/t;6-/m.1/s1