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

Systemtic Name: 2-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(1S)-1-methyl-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]nicotinate Formula: C13H17N2O3S- MolecularWeight: 281.35068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-4-8(2)15-11(16)9(3)19-12-10(13(17)18)6-5-7-14-12/h5-9H,4H2,1-3H3,(H,15,16)(H,17,18)/p-1/t8-,9-/m0/s1