4-methyl-2-(3-oxidanylidene-[1,2]thiazolo[5,4-b]pyridin-2-yl)pentanoic acid

Systemtic Name: 4-methyl-2-(3-oxidanylidene-[1,2]thiazolo[5,4-b]pyridin-2-yl)pentanoic acid Openeye Name: 4-methyl-2-(3-oxoisothiazolo[5,4-b]pyridin-2-yl)pentanoic acid CAS Name: 4-methyl-2-(3-oxo-2-isothiazolo[5,4-b]pyridinyl)pentanoic acid IUPAC Name: 4-methyl-2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)pentanoic acid Traditional Name: 2-(3-ketoisothiazolo[5,4-b]pyridin-2-yl)-4-methyl-valeric acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1C(=O)C2=C(S1)N=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)O)N1C(=O)C2=C(S1)N=CC=C2

InChI

InChI=1S/C12H14N2O3S/c1-7(2)6-9(12(16)17)14-11(15)8-4-3-5-13-10(8)18-14/h3-5,7,9H,6H2,1-2H3,(H,16,17)