4-[[(2S)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanoyl]amino]benzoic acid

Systemtic Name: 4-[[(2S)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanoyl]amino]benzoic acid Openeye Name: 4-[[(2S)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanoyl]amino]benzoic acid CAS Name: 4-[[(2S)-1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]benzoic acid IUPAC Name: 4-[[(2S)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanoyl]amino]benzoic acid Traditional Name: 4-[[(2S)-2-[(6-phenylpyrimidin-4-yl)thio]propanoyl]amino]benzoic acid Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3S/c1-13(19(24)23-16-9-7-15(8-10-16)20(25)26)27-18-11-17(21-12-22-18)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,24)(H,25,26)/t13-/m0/s1