6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; 1,3-thiazol-3-ium

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; 1,3-thiazol-3-ium Openeye Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; thiazol-3-ium CAS Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; thiazol-3-ium IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; 1,3-thiazol-3-ium Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; thiazol-3-ium Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)C(C)O)C(=O)[O-].C1=CSC=[NH+]1

Isomeric SMILES

CC1C=C(N2C1C(C2=O)C(C)O)C(=O)[O-].C1=CSC=[NH+]1

InChI

InChI=1S/C10H13NO4.C3H3NS/c1-4-3-6(10(14)15)11-8(4)7(5(2)12)9(11)13;1-2-5-3-4-1/h3-5,7-8,12H,1-2H3,(H,14,15);1-3H