3-[(2-ethyl-3H-1,2,4-triazol-1-yl)sulfanylmethyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-[(2-ethyl-3H-1,2,4-triazol-1-yl)sulfanylmethyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-[(2-ethyl-3H-1,2,4-triazol-1-yl)sulfanylmethyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[[(2-ethyl-3H-1,2,4-triazol-1-yl)thio]methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-[(2-ethyl-3H-1,2,4-triazol-1-yl)sulfanylmethyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[[(2-ethyl-3H-1,2,4-triazol-1-yl)thio]methyl]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H17N4O4S2- MolecularWeight: 357.42848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CN=CN1SCC2=C(N3C(S2)C(C3=O)C(C)O)C(=O)[O-]

Isomeric SMILES

CCN1CN=CN1SCC2=C(N3C(S2)C(C3=O)C(C)O)C(=O)[O-]

InChI

InChI=1S/C13H18N4O4S2/c1-3-15-5-14-6-16(15)22-4-8-10(13(20)21)17-11(19)9(7(2)18)12(17)23-8/h6-7,9,12,18H,3-5H2,1-2H3,(H,20,21)/p-1