4-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13N3O3S/c1-9-6-7-15-14(16-9)21-8-12(18)17-11-4-2-10(3-5-11)13(19)20/h2-7H,8H2,1H3,(H,17,18)(H,19,20)