3-(3,4-dimethoxyphenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-3-ium-2-amine

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-3-ium-2-amine Openeye Name: 3-(3,4-dimethoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-3-ium-2-amine CAS Name: 3-(3,4-dimethoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-3-ium-2-amine IUPAC Name: 3-(3,4-dimethoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-3-ium-2-amine Traditional Name: [3-(3,4-dimethoxyphenyl)-5,5-diketo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-3-ium-2-yl]amine Formula: C13H17N2O4S2+ MolecularWeight: 329.41508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+]2=C(SC3C2CS(=O)(=O)C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+]2=C(SC3C2CS(=O)(=O)C3)N)OC

InChI

InChI=1S/C13H16N2O4S2/c1-18-10-4-3-8(5-11(10)19-2)15-9-6-21(16,17)7-12(9)20-13(15)14/h3-5,9,12,14H,6-7H2,1-2H3/p+1