ethyl 4-[[(2S)-2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[(4-hydroxy-6-keto-5-phenyl-1H-pyrimidin-2-yl)thio]propanoyl]amino]benzoic acid ethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H21N3O5S/c1-3-30-21(29)15-9-11-16(12-10-15)23-18(26)13(2)31-22-24-19(27)17(20(28)25-22)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,23,26)(H2,24,25,27,28)/t13-/m0/s1