3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-isocyano-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-isocyano-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-isocyano-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-isocyano-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-isocyano-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-isocyano-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C13H11N4O3S3- MolecularWeight: 367.44644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)SCC2=C(N3C(C(C3=O)[N+]#[C-])SC2)C(=O)[O-]

Isomeric SMILES

CCC1=NN=C(S1)SCC2=C(N3C(C(C3=O)[N+]#[C-])SC2)C(=O)[O-]

InChI

InChI=1S/C13H12N4O3S3/c1-3-7-15-16-13(23-7)22-5-6-4-21-11-8(14-2)10(18)17(11)9(6)12(19)20/h8,11H,3-5H2,1H3,(H,19,20)/p-1