3-cyano-2-oxidanylidene-5-(2-pyridin-4-yl-1,3-thiazol-5-yl)pentanoic acid

Systemtic Name: 3-cyano-2-oxidanylidene-5-(2-pyridin-4-yl-1,3-thiazol-5-yl)pentanoic acid Openeye Name: 3-cyano-2-oxo-5-[2-(4-pyridyl)thiazol-5-yl]pentanoic acid CAS Name: 3-cyano-2-oxo-5-(2-pyridin-4-yl-5-thiazolyl)pentanoic acid IUPAC Name: 3-cyano-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-5-yl)pentanoic acid Traditional Name: 3-cyano-2-keto-5-[2-(4-pyridyl)thiazol-5-yl]valeric acid Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NC=C(S2)CCC(C#N)C(=O)C(=O)O

Isomeric SMILES

C1=CN=CC=C1C2=NC=C(S2)CCC(C#N)C(=O)C(=O)O

InChI

InChI=1S/C14H11N3O3S/c15-7-10(12(18)14(19)20)1-2-11-8-17-13(21-11)9-3-5-16-6-4-9/h3-6,8,10H,1-2H2,(H,19,20)