calcium 5-methyl-1,1-bis(oxidanylidene)thieno[3,2-d][1,2]thiazol-3-one

Systemtic Name: calcium 5-methyl-1,1-bis(oxidanylidene)thieno[3,2-d][1,2]thiazol-3-one Openeye Name: calcium 5-methyl-1,1-dioxo-thieno[3,2-d]isothiazol-3-one CAS Name: calcium 5-methyl-1,1-dioxo-3-thieno[3,2-d]isothiazolone IUPAC Name: calcium 5-methyl-1,1-dioxothieno[3,2-d][1,2]thiazol-3-one Traditional Name: calcium 1,1-diketo-5-methyl-thien[3,2-d]isothiazol-3-one Formula: C6H5CaNO3S2+2 MolecularWeight: 243.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)S(=O)(=O)NC2=O.[Ca+2]

Isomeric SMILES

CC1=CC2=C(S1)S(=O)(=O)NC2=O.[Ca+2]

InChI

InChI=1S/C6H5NO3S2.Ca/c1-3-2-4-5(8)7-12(9,10)6(4)11-3;/h2H,1H3,(H,7,8);/q;+2