2-[(3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl)sulfanyl]acetic acid CAS Name: 2-[(3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl)thio]acetic acid IUPAC Name: 2-[(3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(3,5-dicyano-2-keto-4,4-dimethyl-1,3-dihydropyridin-6-yl)thio]acetic acid Formula: C11H11N3O3S MolecularWeight: 265.28834

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)NC(=C1C#N)SCC(=O)O)C#N)C

Isomeric SMILES

CC1(C(C(=O)NC(=C1C#N)SCC(=O)O)C#N)C

InChI

InChI=1S/C11H11N3O3S/c1-11(2)6(3-12)9(17)14-10(7(11)4-13)18-5-8(15)16/h6H,5H2,1-2H3,(H,14,17)(H,15,16)