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

Systemtic Name: (6R,7R)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5,8-bis(oxidanylidene)-7-(2-thiophen-2-ylethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-5,8-dioxo-7-[[2-(2-thienyl)acetyl]amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-5,8-dioxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-5,8-dioxo-7-[(2-thiophen-2-ylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-5,8-diketo-3-[[(1-methyltetrazol-5-yl)thio]methyl]-7-[[2-(2-thienyl)acetyl]amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N6O5S3 MolecularWeight: 468.53044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)S(=O)C2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC=CS4)S(=O)C2)C(=O)O

InChI

InChI=1S/C16H16N6O5S3/c1-21-16(18-19-20-21)29-6-8-7-30(27)14-11(13(24)22(14)12(8)15(25)26)17-10(23)5-9-3-2-4-28-9/h2-4,11,14H,5-7H2,1H3,(H,17,23)(H,25,26)/t11-,14-,30?/m1/s1