(2S)-N-methyl-1-phenyl-propan-2-amine; (3R)-3-thiophen-2-ylsulfanylbutanoic acid

Systemtic Name: (2S)-N-methyl-1-phenyl-propan-2-amine; (3R)-3-thiophen-2-ylsulfanylbutanoic acid Openeye Name: (2S)-N-methyl-1-phenyl-propan-2-amine; (3R)-3-(2-thienylsulfanyl)butanoic acid CAS Name: (2S)-N-methyl-1-phenyl-2-propanamine; (3R)-3-(thiophen-2-ylthio)butanoic acid IUPAC Name: (2S)-N-methyl-1-phenylpropan-2-amine; (3R)-3-thiophen-2-ylsulfanylbutanoic acid Traditional Name: methyl-[(1S)-1-methyl-2-phenyl-ethyl]amine; (3R)-3-(2-thienylthio)butyric acid Formula: C18H25NO2S2 MolecularWeight: 351.5266

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC.CC(CC(=O)O)SC1=CC=CS1

Isomeric SMILES

C[C@@H](CC1=CC=CC=C1)NC.C[C@H](CC(=O)O)SC1=CC=CS1

InChI

InChI=1S/C10H15N.C8H10O2S2/c1-9(11-2)8-10-6-4-3-5-7-10;1-6(5-7(9)10)12-8-3-2-4-11-8/h3-7,9,11H,8H2,1-2H3;2-4,6H,5H2,1H3,(H,9,10)/t9-;6-/m01/s1