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

Systemtic Name: 7-isocyano-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-isocyano-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-isocyano-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-isocyano-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-isocyano-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C12H9N4O3S3- MolecularWeight: 353.41986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)[N+]#[C-])SC2)C(=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)[N+]#[C-])SC2)C(=O)[O-]

InChI

InChI=1S/C12H10N4O3S3/c1-5-14-15-12(22-5)21-4-6-3-20-10-7(13-2)9(17)16(10)8(6)11(18)19/h7,10H,3-4H2,1H3,(H,18,19)/p-1