ethyl 3-[(2-acetamido-3-ethoxy-3-oxidanylidene-propyl)sulfanylmethyl]-4-oxidanylidene-2-pyridin-3-yl-butanoate

Systemtic Name: ethyl 3-[(2-acetamido-3-ethoxy-3-oxidanylidene-propyl)sulfanylmethyl]-4-oxidanylidene-2-pyridin-3-yl-butanoate Openeye Name: ethyl 3-[(2-acetamido-3-ethoxy-3-oxo-propyl)sulfanylmethyl]-4-oxo-2-(3-pyridyl)butanoate CAS Name: 3-[[(2-acetamido-3-ethoxy-3-oxopropyl)thio]methyl]-4-oxo-2-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[(2-acetamido-3-ethoxy-3-oxopropyl)sulfanylmethyl]-4-oxo-2-pyridin-3-ylbutanoate Traditional Name: 3-[[(2-acetamido-3-ethoxy-3-keto-propyl)thio]methyl]-4-keto-2-(3-pyridyl)butyric acid ethyl ester Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC(C=O)C(C1=CN=CC=C1)C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CSCC(C=O)C(C1=CN=CC=C1)C(=O)OCC)NC(=O)C

InChI

InChI=1S/C19H26N2O6S/c1-4-26-18(24)16(21-13(3)23)12-28-11-15(10-22)17(19(25)27-5-2)14-7-6-8-20-9-14/h6-10,15-17H,4-5,11-12H2,1-3H3,(H,21,23)