ethyl (2R)-2-[[5-benzamido-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: ethyl (2R)-2-[[5-benzamido-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: ethyl (2R)-2-[[5-benzamido-4-oxo-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[5-benzamido-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-2-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-benzamido-4-oxo-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[(5-benzamido-4-keto-6-propionamido-1H-pyrimidin-2-yl)thio]propionic acid ethyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SC(C)C(=O)OCC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)S[C@H](C)C(=O)OCC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H22N4O5S/c1-4-13(24)20-15-14(21-16(25)12-9-7-6-8-10-12)17(26)23-19(22-15)29-11(3)18(27)28-5-2/h6-11H,4-5H2,1-3H3,(H,21,25)(H2,20,22,23,24,26)/t11-/m1/s1