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

Systemtic Name: 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylamino]ethanoyl]benzoic acid Openeye Name: 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylamino]acetyl]benzoic acid CAS Name: 2-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]amino]-1-oxoethyl]benzoic acid IUPAC Name: 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylamino]acetyl]benzoic acid Traditional Name: 2-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]amino]acetyl]benzoic acid Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SNCC(=O)C2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SNCC(=O)C2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C15H15N3O3S/c1-9-7-10(2)18-15(17-9)22-16-8-13(19)11-5-3-4-6-12(11)14(20)21/h3-7,16H,8H2,1-2H3,(H,20,21)