(6R,7R)-7-azanyl-3-[[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-azanyl-3-[[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-amino-3-[[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-amino-3-[[[5-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-1,3,4-thiadiazol-2-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-amino-3-[[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-amino-8-keto-3-[[[5-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-1,3,4-thiadiazol-2-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H14N6O3S5 MolecularWeight: 474.62436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=NN=C(S2)SCC3=C(N4C(C(C4=O)N)SC3)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SCC2=NN=C(S2)SCC3=C(N4[C@@H]([C@@H](C4=O)N)SC3)C(=O)O

InChI

InChI=1S/C14H14N6O3S5/c1-5-16-18-13(27-5)26-4-7-17-19-14(28-7)25-3-6-2-24-11-8(15)10(21)20(11)9(6)12(22)23/h8,11H,2-4,15H2,1H3,(H,22,23)/t8-,11-/m1/s1