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

Systemtic Name: 4-[[(2S)-2-(6-methylpyrimidin-4-yl)sulfanylpropanoyl]amino]benzoic acid Openeye Name: 4-[[(2S)-2-(6-methylpyrimidin-4-yl)sulfanylpropanoyl]amino]benzoic acid CAS Name: 4-[[(2S)-2-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[[(2S)-2-(6-methylpyrimidin-4-yl)sulfanylpropanoyl]amino]benzoic acid Traditional Name: 4-[[(2S)-2-[(6-methylpyrimidin-4-yl)thio]propanoyl]amino]benzoic acid Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=NC=N1)S[C@@H](C)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H15N3O3S/c1-9-7-13(17-8-16-9)22-10(2)14(19)18-12-5-3-11(4-6-12)15(20)21/h3-8,10H,1-2H3,(H,18,19)(H,20,21)/t10-/m0/s1