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

Systemtic Name: 4-methyl-2-(3-oxidanylidene-1,2-thiazol-2-yl)pentanoate Openeye Name: 4-methyl-2-(3-oxoisothiazol-2-yl)pentanoate CAS Name: 4-methyl-2-(3-oxo-2-isothiazolyl)pentanoate IUPAC Name: 4-methyl-2-(3-oxo-1,2-thiazol-2-yl)pentanoate Traditional Name: 2-(3-keto-4-isothiazolin-2-yl)-4-methyl-valerate Formula: C9H12NO3S- MolecularWeight: 214.26148

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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)/p-1