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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)OC)SC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H22N4O5S/c1-4-12(18(27)28-3)29-19-22-15(20-13(24)5-2)14(17(26)23-19)21-16(25)11-9-7-6-8-10-11/h6-10,12H,4-5H2,1-3H3,(H,21,25)(H2,20,22,23,24,26)/t12-/m1/s1