[bis(2-azanyl-1,3-thiazol-3-ium-3-yl)-sulfaniumyl-methyl]sulfanium diethanoate

Systemtic Name: [bis(2-azanyl-1,3-thiazol-3-ium-3-yl)-sulfaniumyl-methyl]sulfanium diethanoate Openeye Name: [bis(2-aminothiazol-3-ium-3-yl)-sulfonio-methyl]sulfonium diacetate CAS Name: [bis(2-amino-3-thiazol-3-iumyl)-sulfaniumylmethyl]sulfonium diacetate IUPAC Name: [bis(2-amino-1,3-thiazol-3-ium-3-yl)-sulfaniumylmethyl]sulfanium diacetate Traditional Name: [bis(2-aminothiazol-3-ium-3-yl)-sulfonio-methyl]sulfonium diacetate Formula: C11H18N4O4S4+2 MolecularWeight: 398.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].C1=CSC(=[N+]1C([N+]2=C(SC=C2)N)([SH2+])[SH2+])N

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].C1=CSC(=[N+]1C([N+]2=C(SC=C2)N)([SH2+])[SH2+])N

InChI

InChI=1S/C7H8N4S4.2C2H4O2/c8-5-10(1-3-14-5)7(12,13)11-2-4-15-6(11)9;2*1-2(3)4/h1-4,8-9,12-13H;2*1H3,(H,3,4)/p+2