3-methyl-2-oxidanylidene-3-thiophen-2-yl-butanoate

Systemtic Name: 3-methyl-2-oxidanylidene-3-thiophen-2-yl-butanoate Openeye Name: 3-methyl-2-oxo-3-(2-thienyl)butanoate CAS Name: 3-methyl-2-oxo-3-thiophen-2-ylbutanoate IUPAC Name: 3-methyl-2-oxo-3-thiophen-2-ylbutanoate Traditional Name: 2-keto-3-methyl-3-(2-thienyl)butyrate Formula: C9H9O3S- MolecularWeight: 197.23096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CS1)C(=O)C(=O)[O-]

Isomeric SMILES

CC(C)(C1=CC=CS1)C(=O)C(=O)[O-]

InChI

InChI=1S/C9H10O3S/c1-9(2,7(10)8(11)12)6-4-3-5-13-6/h3-5H,1-2H3,(H,11,12)/p-1