2-azanyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid trihydrate

Systemtic Name: 2-azanyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid trihydrate Openeye Name: 2-amino-4,5-dihydrothiazole-4-carboxylic acid trihydrate CAS Name: 2-amino-4,5-dihydrothiazole-4-carboxylic acid trihydrate IUPAC Name: 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid trihydrate Traditional Name: 2-amino-2-thiazoline-4-carboxylic acid trihydrate Formula: C4H12N2O5S MolecularWeight: 200.21348

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(S1)N)C(=O)O.O.O.O

Isomeric SMILES

C1C(N=C(S1)N)C(=O)O.O.O.O

InChI

InChI=1S/C4H6N2O2S.3H2O/c5-4-6-2(1-9-4)3(7)8;;;/h2H,1H2,(H2,5,6)(H,7,8);3*1H2