2-[3-cyano-5-(3-ethoxy-3-oxidanylidene-propyl)-4,6-dimethyl-pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-cyano-5-(3-ethoxy-3-oxidanylidene-propyl)-4,6-dimethyl-pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-5-(3-ethoxy-3-oxo-propyl)-4,6-dimethyl-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-5-(3-ethoxy-3-oxopropyl)-4,6-dimethyl-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-5-(3-ethoxy-3-oxopropyl)-4,6-dimethylpyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-5-(3-ethoxy-3-keto-propyl)-4,6-dimethyl-2-pyridyl]thio]acetic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N=C(C(=C1C)C#N)SCC(=O)O)C

Isomeric SMILES

CCOC(=O)CCC1=C(N=C(C(=C1C)C#N)SCC(=O)O)C

InChI

InChI=1S/C15H18N2O4S/c1-4-21-14(20)6-5-11-9(2)12(7-16)15(17-10(11)3)22-8-13(18)19/h4-6,8H2,1-3H3,(H,18,19)