2-(2-ethyl-2-methyl-4-oxidanylidene-3H-thiochromen-3-yl)-2-oxidanylidene-ethanoate

Systemtic Name: 2-(2-ethyl-2-methyl-4-oxidanylidene-3H-thiochromen-3-yl)-2-oxidanylidene-ethanoate Openeye Name: 2-(2-ethyl-2-methyl-4-oxo-thiochroman-3-yl)-2-oxo-acetate CAS Name: 2-(2-ethyl-2-methyl-4-oxo-3H-1-benzothiopyran-3-yl)-2-oxoacetate IUPAC Name: 2-(2-ethyl-2-methyl-4-oxo-3H-thiochromen-3-yl)-2-oxoacetate Traditional Name: 2-(2-ethyl-4-keto-2-methyl-thiochroman-3-yl)-2-keto-acetate Formula: C14H13O4S- MolecularWeight: 277.31562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(=O)C2=CC=CC=C2S1)C(=O)C(=O)[O-])C

Isomeric SMILES

CCC1(C(C(=O)C2=CC=CC=C2S1)C(=O)C(=O)[O-])C

InChI

InChI=1S/C14H14O4S/c1-3-14(2)10(12(16)13(17)18)11(15)8-6-4-5-7-9(8)19-14/h4-7,10H,3H2,1-2H3,(H,17,18)/p-1