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

Systemtic Name: methyl (2R)-2-[(6-acetamido-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: methyl (2R)-2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate CAS Name: (2R)-2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: (2R)-2-[(6-acetamido-5-benzamido-4-keto-1H-pyrimidin-2-yl)thio]butyric acid methyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-4-12(17(26)27-3)28-18-21-14(19-10(2)23)13(16(25)22-18)20-15(24)11-8-6-5-7-9-11/h5-9,12H,4H2,1-3H3,(H,20,24)(H2,19,21,22,23,25)/t12-/m1/s1