(2S)-2-[3-(pyridin-2-ylamino)pyridin-2-yl]sulfanylbutanoate

Systemtic Name: (2S)-2-[3-(pyridin-2-ylamino)pyridin-2-yl]sulfanylbutanoate Openeye Name: (2S)-2-[[3-(2-pyridylamino)-2-pyridyl]sulfanyl]butanoate CAS Name: (2S)-2-[[3-(2-pyridinylamino)-2-pyridinyl]thio]butanoate IUPAC Name: (2S)-2-[3-(pyridin-2-ylamino)pyridin-2-yl]sulfanylbutanoate Traditional Name: (2S)-2-[[3-(2-pyridylamino)-2-pyridyl]thio]butyrate Formula: C14H14N3O2S- MolecularWeight: 288.34486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=C(C=CC=N1)NC2=CC=CC=N2

Isomeric SMILES

CC[C@@H](C(=O)[O-])SC1=C(C=CC=N1)NC2=CC=CC=N2

InChI

InChI=1S/C14H15N3O2S/c1-2-11(14(18)19)20-13-10(6-5-9-16-13)17-12-7-3-4-8-15-12/h3-9,11H,2H2,1H3,(H,15,17)(H,18,19)/p-1/t11-/m0/s1