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

Systemtic Name: ethyl (2R)-2-[(6-acetamido-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5S/c1-4-13(18(27)28-5-2)29-19-22-15(20-11(3)24)14(17(26)23-19)21-16(25)12-9-7-6-8-10-12/h6-10,13H,4-5H2,1-3H3,(H,21,25)(H2,20,22,23,24,26)/t13-/m1/s1