4,5-dihydro-1,3-thiazol-3-ium-2-amine; 2-oxidanylidenebutanedioate

Systemtic Name: 4,5-dihydro-1,3-thiazol-3-ium-2-amine; 2-oxidanylidenebutanedioate Openeye Name: 4,5-dihydrothiazol-3-ium-2-amine; 2-oxobutanedioate CAS Name: 4,5-dihydrothiazol-3-ium-2-amine; 2-oxobutanedioate IUPAC Name: 4,5-dihydro-1,3-thiazol-3-ium-2-amine; 2-oxobutanedioate Traditional Name: 2-ketosuccinate; 2-thiazolin-3-ium-2-ylamine Formula: C10H16N4O5S2 MolecularWeight: 336.38784

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[NH+]1)N.C1CSC(=[NH+]1)N.C(C(=O)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CSC(=[NH+]1)N.C1CSC(=[NH+]1)N.C(C(=O)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C4H4O5.2C3H6N2S/c5-2(4(8)9)1-3(6)7;2*4-3-5-1-2-6-3/h1H2,(H,6,7)(H,8,9);2*1-2H2,(H2,4,5)