2-[(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 2-[(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 2-[(2-methoxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 2-[[(1-methoxy-1-oxopropan-2-yl)thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 2-[(1-methoxy-1-oxopropan-2-yl)sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 4-keto-2-[[(2-keto-2-methoxy-1-methyl-ethyl)thio]methyl]-4-(3-pyridyl)butyric acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SCC(CC(=O)C1=CN=CC=C1)C(=O)O

Isomeric SMILES

CC(C(=O)OC)SCC(CC(=O)C1=CN=CC=C1)C(=O)O

InChI

InChI=1S/C14H17NO5S/c1-9(14(19)20-2)21-8-11(13(17)18)6-12(16)10-4-3-5-15-7-10/h3-5,7,9,11H,6,8H2,1-2H3,(H,17,18)