2-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]ethanoyl]benzoic acid

Systemtic Name: 2-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]ethanoyl]benzoic acid Openeye Name: 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]acetyl]benzoic acid CAS Name: 2-[2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-1-oxoethyl]benzoic acid IUPAC Name: 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]acetyl]benzoic acid Traditional Name: 2-[2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]acetyl]benzoic acid Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCC(=O)C2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCC(=O)C2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C17H17N3O4S/c1-10-7-11(2)20-17(19-10)25-9-15(22)18-8-14(21)12-5-3-4-6-13(12)16(23)24/h3-7H,8-9H2,1-2H3,(H,18,22)(H,23,24)