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

Systemtic Name: methyl (2R)-2-[[5-benzamido-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-4-12(23)19-14-13(20-15(24)11-8-6-5-7-9-11)16(25)22-18(21-14)28-10(2)17(26)27-3/h5-10H,4H2,1-3H3,(H,20,24)(H2,19,21,22,23,25)/t10-/m1/s1