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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)SC1=C(C=CC=N1)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-3-4-7-14-11(16)9(2)19-12-10(13(17)18)6-5-8-15-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16)(H,17,18)/p-1/t9-/m0/s1