(2S)-2-[[5-(naphthalen-1-ylmethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]propanoic acid

Systemtic Name: (2S)-2-[[5-(naphthalen-1-ylmethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: (2S)-2-[[5-(1-naphthylmethyl)-4-oxo-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: (2S)-2-[[5-(1-naphthalenylmethyl)-4-oxo-6-phenyl-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: (2S)-2-[[5-(naphthalen-1-ylmethyl)-4-oxo-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: (2S)-2-[[4-keto-5-(1-naphthylmethyl)-6-phenyl-1H-pyrimidin-2-yl]thio]propionic acid Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H20N2O3S/c1-15(23(28)29)30-24-25-21(17-9-3-2-4-10-17)20(22(27)26-24)14-18-12-7-11-16-8-5-6-13-19(16)18/h2-13,15H,14H2,1H3,(H,28,29)(H,25,26,27)/t15-/m0/s1