4-methyl-2-(3-oxidanylidene-1,2-thiazol-2-yl)pentanoic acid

Systemtic Name: 4-methyl-2-(3-oxidanylidene-1,2-thiazol-2-yl)pentanoic acid Openeye Name: 4-methyl-2-(3-oxoisothiazol-2-yl)pentanoic acid CAS Name: 4-methyl-2-(3-oxo-2-isothiazolyl)pentanoic acid IUPAC Name: 4-methyl-2-(3-oxo-1,2-thiazol-2-yl)pentanoic acid Traditional Name: 2-(3-keto-4-isothiazolin-2-yl)-4-methyl-valeric acid Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1C(=O)C=CS1

Isomeric SMILES

CC(C)CC(C(=O)O)N1C(=O)C=CS1

InChI

InChI=1S/C9H13NO3S/c1-6(2)5-7(9(12)13)10-8(11)3-4-14-10/h3-4,6-7H,5H2,1-2H3,(H,12,13)