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

Systemtic Name: ethyl (2S)-2-[(6-acetamido-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: ethyl (2S)-2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: (2S)-2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(6-acetamido-5-benzamido-4-keto-1H-pyrimidin-2-yl)thio]propionic acid ethyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-4-27-17(26)10(2)28-18-21-14(19-11(3)23)13(16(25)22-18)20-15(24)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,20,24)(H2,19,21,22,23,25)/t10-/m0/s1