(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5,8-bis(oxidanylidene)-7-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5,8-bis(oxidanylidene)-7-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5,8-dioxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: (6R,7R)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5,8-dioxo-7-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5,8-dioxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: (6R,7R)-5,8-diketo-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[[2-(tetrazol-1-yl)acetyl]amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C14H14N8O5S3 MolecularWeight: 470.50656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=CS(=O)C3C(C(=O)N3C2C(=O)O)NC(=O)CN4C=NN=N4

Isomeric SMILES

CC1=NN=C(S1)SCC2=CS(=O)[C@@H]3[C@@H](C(=O)N3C2C(=O)O)NC(=O)CN4C=NN=N4

InChI

InChI=1S/C14H14N8O5S3/c1-6-17-18-14(29-6)28-3-7-4-30(27)12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h4-5,9-10,12H,2-3H2,1H3,(H,16,23)(H,25,26)/t9-,10?,12-,30?/m1/s1