ethyl (2S)-4-methylsulfanyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoate

Systemtic Name: ethyl (2S)-4-methylsulfanyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoate Openeye Name: ethyl (2S)-4-methylsulfanyl-2-[[(1R)-1-(2-pyridyl)ethyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(1R)-1-(2-pyridinyl)ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-methylsulfanyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[(1R)-1-(2-pyridyl)ethyl]amino]butyric acid ethyl ester Formula: C14H22N2O2S MolecularWeight: 282.40168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(C)C1=CC=CC=N1

Isomeric SMILES

CCOC(=O)[C@H](CCSC)N[C@H](C)C1=CC=CC=N1

InChI

InChI=1S/C14H22N2O2S/c1-4-18-14(17)13(8-10-19-3)16-11(2)12-7-5-6-9-15-12/h5-7,9,11,13,16H,4,8,10H2,1-3H3/t11-,13+/m1/s1