2-[(2S)-1-oxidanylidene-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[(2S)-1-oxidanylidene-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(1S)-1-methyl-2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(2S)-1-oxo-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(2S)-1-oxo-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-[[(1S)-1-methylbutyl]amino]ethyl]thio]nicotinate Formula: C14H19N2O3S- MolecularWeight: 295.37726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C(C)SC1=C(C=CC=N1)C(=O)[O-]

Isomeric SMILES

CCC[C@H](C)NC(=O)[C@H](C)SC1=C(C=CC=N1)C(=O)[O-]

InChI

InChI=1S/C14H20N2O3S/c1-4-6-9(2)16-12(17)10(3)20-13-11(14(18)19)7-5-8-15-13/h5,7-10H,4,6H2,1-3H3,(H,16,17)(H,18,19)/p-1/t9-,10-/m0/s1