1-phenylpropan-1-amine; (3R)-3-thiophen-2-ylsulfanylbutanoic acid

Systemtic Name: 1-phenylpropan-1-amine; (3R)-3-thiophen-2-ylsulfanylbutanoic acid Openeye Name: 1-phenylpropan-1-amine; (3R)-3-(2-thienylsulfanyl)butanoic acid CAS Name: 1-phenyl-1-propanamine; (3R)-3-(thiophen-2-ylthio)butanoic acid IUPAC Name: 1-phenylpropan-1-amine; (3R)-3-thiophen-2-ylsulfanylbutanoic acid Traditional Name: 1-phenylpropylamine; (3R)-3-(2-thienylthio)butyric acid Formula: C17H23NO2S2 MolecularWeight: 337.50002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N.C8H10O2S2/c1-2-9(10)8-6-4-3-5-7-8;1-6(5-7(9)10)12-8-3-2-4-11-8/h3-7,9H,2,10H2,1H3;2-4,6H,5H2,1H3,(H,9,10)/t;6-/m.1/s1