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

Systemtic Name: 2-[(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(1S)-2-(3-methoxypropylamino)-1-methyl-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(1S)-2-keto-2-(3-methoxypropylamino)-1-methyl-ethyl]thio]nicotinate Formula: C13H17N2O4S- MolecularWeight: 297.35008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c1-9(11(16)14-7-4-8-19-2)20-12-10(13(17)18)5-3-6-15-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)(H,17,18)/p-1/t9-/m0/s1