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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-4-10(5-2)16-12(17)9(3)20-13-11(14(18)19)7-6-8-15-13/h6-10H,4-5H2,1-3H3,(H,16,17)(H,18,19)/p-1/t9-/m0/s1