methyl (2R)-2-acetamido-3-(3-oxidanylidene-3-pyridin-3-yl-propyl)sulfanyl-propanoate

Systemtic Name: methyl (2R)-2-acetamido-3-(3-oxidanylidene-3-pyridin-3-yl-propyl)sulfanyl-propanoate Openeye Name: methyl (2R)-2-acetamido-3-[3-oxo-3-(3-pyridyl)propyl]sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[[3-oxo-3-(3-pyridinyl)propyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-acetamido-3-(3-oxo-3-pyridin-3-ylpropyl)sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[[3-keto-3-(3-pyridyl)propyl]thio]propionic acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCCC(=O)C1=CN=CC=C1)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CSCCC(=O)C1=CN=CC=C1)C(=O)OC

InChI

InChI=1S/C14H18N2O4S/c1-10(17)16-12(14(19)20-2)9-21-7-5-13(18)11-4-3-6-15-8-11/h3-4,6,8,12H,5,7,9H2,1-2H3,(H,16,17)/t12-/m0/s1