(2S,3S,5R)-3-methyl-3-[[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,2,3-triazol-1-yl]methyl]-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,3S,5R)-3-methyl-3-[[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,2,3-triazol-1-yl]methyl]-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,3S,5R)-3-methyl-3-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]triazol-1-yl]methyl]-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,3S,5R)-3-methyl-3-[[4-[[(1-methyl-5-tetrazolyl)thio]methyl]-1-triazolyl]methyl]-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,3S,5R)-3-methyl-3-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]triazol-1-yl]methyl]-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,3S,5R)-4,4,7-triketo-3-methyl-3-[[4-[[(1-methyltetrazol-5-yl)thio]methyl]triazol-1-yl]methyl]-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C13H16N8O5S2 MolecularWeight: 428.44674

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=C(N=N3)CSC4=NN=NN4C

Isomeric SMILES

C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=C(N=N3)CSC4=NN=NN4C

InChI

InChI=1S/C13H16N8O5S2/c1-13(10(11(23)24)21-8(22)3-9(21)28(13,25)26)6-20-4-7(14-17-20)5-27-12-15-16-18-19(12)2/h4,9-10H,3,5-6H2,1-2H3,(H,23,24)/t9-,10+,13+/m1/s1