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

Systemtic Name: 7-[2-[2-[(2-chlorophenyl)carbonyl-methyl-amino]phenyl]ethanoylamino]-3-[[1-[(1-methyl-1,2,3,4-tetrazol-5-yl)methyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[2-[(2-chlorobenzoyl)-methyl-amino]phenyl]acetyl]amino]-3-[[1-[(1-methyltetrazol-5-yl)methyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[2-[[(2-chlorophenyl)-oxomethyl]-methylamino]phenyl]-1-oxoethyl]amino]-3-[[[1-[(1-methyl-5-tetrazolyl)methyl]-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[2-[(2-chlorobenzoyl)-methylamino]phenyl]acetyl]amino]-3-[[1-[(1-methyltetrazol-5-yl)methyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[2-[(2-chlorobenzoyl)-methyl-amino]phenyl]acetyl]amino]-8-keto-3-[[[1-[(1-methyltetrazol-5-yl)methyl]tetrazol-5-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C28H26ClN11O5S2 MolecularWeight: 696.15974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)CN2C(=NN=N2)SCC3=C(N4C(C(C4=O)NC(=O)CC5=CC=CC=C5N(C)C(=O)C6=CC=CC=C6Cl)SC3)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)CN2C(=NN=N2)SCC3=C(N4C(C(C4=O)NC(=O)CC5=CC=CC=C5N(C)C(=O)C6=CC=CC=C6Cl)SC3)C(=O)O

InChI

InChI=1S/C28H26ClN11O5S2/c1-37(24(42)17-8-4-5-9-18(17)29)19-10-6-3-7-15(19)11-21(41)30-22-25(43)40-23(27(44)45)16(13-46-26(22)40)14-47-28-32-34-36-39(28)12-20-31-33-35-38(20)2/h3-10,22,26H,11-14H2,1-2H3,(H,30,41)(H,44,45)