6-[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: 6-[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: 6-[(1S)-2-ethoxy-1-methyl-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]thio]-3-pyridinecarboxylate IUPAC Name: 6-[(2S)-1-ethoxy-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 6-[[(1S)-2-ethoxy-2-keto-1-methyl-ethyl]thio]nicotinate Formula: C11H12NO4S- MolecularWeight: 254.28228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=NC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C11H13NO4S/c1-3-16-11(15)7(2)17-9-5-4-8(6-12-9)10(13)14/h4-7H,3H2,1-2H3,(H,13,14)/p-1/t7-/m0/s1