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

Systemtic Name: ethyl 4-[[(2S)-2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate CAS Name: 4-[[(2S)-1-oxo-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propanoyl]amino]benzoic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-3-29-21(28)16-9-11-17(12-10-16)23-20(27)14(2)30-22-24-18(13-19(26)25-22)15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,23,27)(H,24,25,26)/t14-/m0/s1