3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-[(2-oxidanylidene-1,3-thiazolidin-3-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-[(2-oxidanylidene-1,3-thiazolidin-3-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-[(2-oxothiazolidine-3-carbonyl)amino]-2-phenyl-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-7-[[1-oxo-2-[[oxo-(2-oxo-3-thiazolidinyl)methyl]amino]-2-phenylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-[(2-oxo-1,3-thiazolidine-3-carbonyl)amino]-2-phenylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[2-[(2-ketothiazolidine-3-carbonyl)amino]-2-phenyl-acetyl]amino]-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H22N8O6S3 MolecularWeight: 590.65508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)NC(=O)N5CCSC5=O)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)NC(=O)N5CCSC5=O)SC2)C(=O)O

InChI

InChI=1S/C22H22N8O6S3/c1-28-21(25-26-27-28)39-10-12-9-38-18-14(17(32)30(18)15(12)19(33)34)23-16(31)13(11-5-3-2-4-6-11)24-20(35)29-7-8-37-22(29)36/h2-6,13-14,18H,7-10H2,1H3,(H,23,31)(H,24,35)(H,33,34)