2-[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[4,6-dimethyl-3-(phenylcarbamoyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-[anilino(oxo)methyl]-4,6-dimethyl-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4,6-dimethyl-3-(phenylcarbamoyl)-2-pyridyl]thio]acetic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)NC2=CC=CC=C2)SCC(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)NC2=CC=CC=C2)SCC(=O)O)C

InChI

InChI=1S/C16H16N2O3S/c1-10-8-11(2)17-16(22-9-13(19)20)14(10)15(21)18-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)