2-[3-cyano-5-(dimethylcarbamoyl)-4-(furan-2-yl)-6-methyl-pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-cyano-5-(dimethylcarbamoyl)-4-(furan-2-yl)-6-methyl-pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-5-(dimethylcarbamoyl)-4-(2-furyl)-6-methyl-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-5-[dimethylamino(oxo)methyl]-4-(2-furanyl)-6-methyl-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-5-(dimethylcarbamoyl)-4-(furan-2-yl)-6-methylpyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-5-(dimethylcarbamoyl)-4-(2-furyl)-6-methyl-2-pyridyl]thio]acetic acid Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC(=O)O)C#N)C2=CC=CO2)C(=O)N(C)C

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC(=O)O)C#N)C2=CC=CO2)C(=O)N(C)C

InChI

InChI=1S/C16H15N3O4S/c1-9-13(16(22)19(2)3)14(11-5-4-6-23-11)10(7-17)15(18-9)24-8-12(20)21/h4-6H,8H2,1-3H3,(H,20,21)